REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2jha_1_A DATA FIRST_RESID 2 DATA SEQUENCE PEPHAVLYVT NELSHIVKDG FLPIWKLTGD ESLNDLWLEN GKYATDVYAY DATA SEQUENCE GDVSKWTIRQ LRGHGFIFIS THKNVQLADI IKTVDVRIPR EVARSHDMKA DATA SEQUENCE FENEIGRRRI RMRKGFGDAL RNYAFKMAIE FHGSEAETLN DANPRLHKIY DATA SEQUENCE GMPEIPPLYM EYAEIGTRFD DEPTDEKLVS MLDYIVYSAE EVHYIGCGDL DATA SEQUENCE RTLMQFKKRS PGRFRRVLWH VYDPIAPECS DPNVIVHNIM VDSKKDILKH DATA SEQUENCE MNFLKRVERL FIWDVSSDXX XXXXXEWETT RFAEDRLGEE IAYEMGGAFS DATA SEQUENCE SALIKHRIPN SKDEYHCIST YLFPQPGADA DMYELRNFMR LRGYSHVDRH DATA SEQUENCE MHPDASVTKV VSRDVRKMVE LYHGRDRGRF LKKRLFEHLH IVRKNGLLHE DATA SEQUENCE SDEPRADLFY LTNRCNMGLE PSIYEVMKKS VIATAWVGRA PLYDYDDFAL DATA SEQUENCE PRSTVMLNGS YRDIRILDGN GAILFLMWRY PDIVKKDLTY DPAWAMNFAV DATA SEQUENCE SLKEPIPDPP VPDISLCRFI GLRVESSVLR VRNPTXXXXX XXXXXXXXDL DATA SEQUENCE SGHLYVTLMS GAYVTDLFWW FKMILDWSAQ NREQKLRDLK RSAAEVIEWX DATA SEQUENCE XXXXXXXXXV RNDLIAALRE YKRKMGMREG ASIDSWLELL RHL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.230 177.300 -0.116 0.000 1.155 2 P CA 0.000 63.021 63.100 -0.131 0.000 0.800 2 P CB 0.000 31.603 31.700 -0.162 0.000 0.726 3 E N -0.242 119.869 120.200 -0.148 0.000 2.475 3 E HA 0.249 4.599 4.350 -0.000 0.000 0.205 3 E C -1.975 174.590 176.600 -0.058 0.000 0.822 3 E CA 0.183 56.510 56.400 -0.122 0.000 1.240 3 E CB -0.493 29.091 29.700 -0.193 0.000 1.222 3 E HN 0.307 nan 8.360 nan 0.000 0.581 4 P HA -0.035 nan 4.420 nan 0.000 0.262 4 P C -0.322 176.971 177.300 -0.010 0.000 1.182 4 P CA 0.827 63.855 63.100 -0.120 0.000 0.761 4 P CB 0.192 31.769 31.700 -0.204 0.000 0.795 5 H N 1.035 120.040 119.070 -0.109 0.000 2.797 5 H HA 0.813 5.369 4.556 -0.000 0.000 0.362 5 H C -0.868 174.405 175.328 -0.093 0.000 1.183 5 H CA -1.485 54.507 56.048 -0.094 0.000 1.197 5 H CB 1.093 30.802 29.762 -0.088 0.000 1.835 5 H HN 0.395 nan 8.280 nan 0.000 0.567 6 A N 0.903 123.690 122.820 -0.054 0.000 2.294 6 A HA 0.522 4.842 4.320 -0.000 0.000 0.330 6 A C -0.382 177.139 177.584 -0.105 0.000 1.133 6 A CA -0.776 51.181 52.037 -0.134 0.000 0.836 6 A CB 0.949 19.859 19.000 -0.149 0.000 1.190 6 A HN 0.438 nan 8.150 nan 0.000 0.492 7 V N 1.936 121.725 119.914 -0.209 0.000 2.348 7 V HA 0.213 4.332 4.120 -0.000 0.000 0.270 7 V C -0.063 175.829 176.094 -0.337 0.000 1.037 7 V CA -0.049 62.057 62.300 -0.323 0.000 0.872 7 V CB 0.519 31.894 31.823 -0.747 0.000 1.002 7 V HN 0.644 nan 8.190 nan 0.000 0.464 8 L N 5.941 127.045 121.223 -0.198 0.000 2.387 8 L HA 0.306 4.646 4.340 -0.000 0.000 0.267 8 L C -0.117 176.817 176.870 0.106 0.000 1.197 8 L CA -0.322 54.487 54.840 -0.052 0.000 1.070 8 L CB -0.413 41.609 42.059 -0.061 0.000 1.349 8 L HN 0.648 nan 8.230 nan 0.000 0.422 9 Y N 3.266 123.541 120.300 -0.041 0.000 2.605 9 Y HA 0.283 4.833 4.550 -0.000 0.000 0.336 9 Y C 0.179 176.233 175.900 0.256 0.000 1.111 9 Y CA -0.241 57.944 58.100 0.142 0.000 1.422 9 Y CB 0.730 39.415 38.460 0.374 0.000 1.193 9 Y HN 0.282 nan 8.280 nan 0.000 0.526 10 V N 4.323 124.010 119.914 -0.377 0.000 2.994 10 V HA 0.765 4.885 4.120 -0.000 0.000 0.318 10 V C -0.148 175.702 176.094 -0.407 0.000 1.085 10 V CA -0.069 62.123 62.300 -0.179 0.000 0.998 10 V CB 1.689 33.487 31.823 -0.042 0.000 1.063 10 V HN 0.866 nan 8.190 nan 0.000 0.447 11 T N 0.263 114.770 114.554 -0.080 0.000 2.912 11 T HA 0.379 4.729 4.350 -0.000 0.000 0.280 11 T C 0.845 175.517 174.700 -0.046 0.000 0.989 11 T CA 0.301 62.407 62.100 0.010 0.000 0.995 11 T CB 0.722 69.691 68.868 0.168 0.000 1.077 11 T HN 0.790 nan 8.240 nan 0.000 0.531 12 N N 0.994 119.702 118.700 0.014 0.000 2.018 12 N HA -0.214 4.526 4.740 -0.000 0.000 0.196 12 N C 2.044 177.509 175.510 -0.075 0.000 1.043 12 N CA 1.415 54.444 53.050 -0.034 0.000 0.856 12 N CB -0.169 38.331 38.487 0.021 0.000 1.042 12 N HN 0.874 nan 8.380 nan 0.000 0.423 13 E N 1.365 121.545 120.200 -0.034 0.000 2.187 13 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 13 E C 1.650 178.214 176.600 -0.060 0.000 1.004 13 E CA 1.268 57.625 56.400 -0.071 0.000 0.813 13 E CB -0.466 29.215 29.700 -0.032 0.000 0.736 13 E HN 0.343 nan 8.360 nan 0.000 0.468 14 L N 0.831 122.004 121.223 -0.084 0.000 2.558 14 L HA 0.121 4.461 4.340 -0.000 0.000 0.225 14 L C 2.376 179.016 176.870 -0.383 0.000 1.128 14 L CA 0.752 55.488 54.840 -0.174 0.000 0.868 14 L CB -0.203 41.743 42.059 -0.189 0.000 1.006 14 L HN 0.120 nan 8.230 nan 0.000 0.454 15 S N -0.495 115.055 115.700 -0.250 0.000 2.336 15 S HA -0.230 4.240 4.470 -0.000 0.000 0.214 15 S C 2.192 176.417 174.600 -0.625 0.000 1.032 15 S CA 1.329 59.217 58.200 -0.520 0.000 1.001 15 S CB -0.402 62.354 63.200 -0.740 0.000 0.953 15 S HN 0.726 nan 8.310 nan 0.000 0.430 16 H N 1.948 120.703 119.070 -0.526 0.000 2.459 16 H HA -0.213 4.343 4.556 -0.000 0.000 0.284 16 H C 1.864 176.952 175.328 -0.399 0.000 1.131 16 H CA 2.105 57.908 56.048 -0.408 0.000 1.141 16 H CB -1.513 28.041 29.762 -0.346 0.000 1.345 16 H HN 0.618 nan 8.280 nan 0.000 0.491 17 I N 0.365 120.096 120.570 -1.398 0.000 2.235 17 I HA -0.129 4.041 4.170 -0.000 0.000 0.241 17 I C 2.915 178.625 176.117 -0.678 0.000 1.085 17 I CA 0.794 61.515 61.300 -0.964 0.000 1.378 17 I CB -0.860 36.481 38.000 -1.099 0.000 1.076 17 I HN 0.016 nan 8.210 nan 0.000 0.415 18 V N 1.443 120.873 119.914 -0.807 0.000 2.257 18 V HA -0.420 3.700 4.120 -0.000 0.000 0.257 18 V C 2.630 178.489 176.094 -0.390 0.000 1.077 18 V CA 2.483 64.363 62.300 -0.700 0.000 1.063 18 V CB -0.818 30.563 31.823 -0.737 0.000 0.664 18 V HN 0.416 nan 8.190 nan 0.000 0.450 19 K N -0.564 119.662 120.400 -0.289 0.000 2.318 19 K HA -0.244 4.076 4.320 -0.000 0.000 0.204 19 K C 1.672 178.200 176.600 -0.119 0.000 1.044 19 K CA 1.865 58.071 56.287 -0.135 0.000 0.932 19 K CB -0.351 32.081 32.500 -0.113 0.000 0.734 19 K HN 0.547 nan 8.250 nan 0.000 0.473 20 D N -0.546 119.737 120.400 -0.196 0.000 2.149 20 D HA 0.019 4.659 4.640 -0.000 0.000 0.206 20 D C 1.012 177.148 176.300 -0.273 0.000 0.967 20 D CA 0.916 54.810 54.000 -0.175 0.000 0.848 20 D CB -0.424 40.266 40.800 -0.185 0.000 0.998 20 D HN 0.211 nan 8.370 nan 0.000 0.474 21 G N -0.461 108.120 108.800 -0.364 0.000 2.699 21 G HA2 0.118 4.078 3.960 -0.000 0.000 0.246 21 G HA3 0.118 4.078 3.960 -0.000 0.000 0.246 21 G C 0.076 174.725 174.900 -0.418 0.000 1.219 21 G CA -0.448 44.289 45.100 -0.606 0.000 0.866 21 G HN 0.146 nan 8.290 nan 0.000 0.572 22 F N -0.662 119.338 119.950 0.083 0.000 2.692 22 F HA 0.315 4.842 4.527 -0.000 0.000 0.303 22 F C 0.702 176.535 175.800 0.054 0.000 1.114 22 F CA -0.401 57.634 58.000 0.058 0.000 1.361 22 F CB -0.322 38.702 39.000 0.039 0.000 1.063 22 F HN -0.060 nan 8.300 nan 0.000 0.550 23 L N 0.847 122.157 121.223 0.146 0.000 2.360 23 L HA 0.526 4.866 4.340 -0.000 0.000 0.271 23 L C -2.333 174.578 176.870 0.068 0.000 1.057 23 L CA -2.383 52.497 54.840 0.067 0.000 0.803 23 L CB 0.184 42.207 42.059 -0.061 0.000 1.207 23 L HN -0.228 nan 8.230 nan 0.000 0.445 24 P HA 0.259 nan 4.420 nan 0.000 0.272 24 P C -1.068 176.178 177.300 -0.090 0.000 1.223 24 P CA -0.121 62.952 63.100 -0.045 0.000 0.784 24 P CB 0.525 32.168 31.700 -0.095 0.000 0.923 25 I N 1.454 122.014 120.570 -0.018 0.000 2.390 25 I HA 0.288 4.458 4.170 -0.000 0.000 0.283 25 I C -0.246 175.900 176.117 0.048 0.000 1.016 25 I CA -0.748 60.576 61.300 0.040 0.000 1.151 25 I CB 0.224 38.311 38.000 0.144 0.000 1.293 25 I HN 0.308 nan 8.210 nan 0.000 0.458 26 W N 7.120 128.253 121.300 -0.279 0.000 2.158 26 W HA 0.370 5.030 4.660 -0.000 0.000 0.339 26 W C -0.052 176.337 176.519 -0.216 0.000 1.294 26 W CA -0.634 56.645 57.345 -0.111 0.000 1.231 26 W CB 0.623 30.046 29.460 -0.062 0.000 1.143 26 W HN 0.498 nan 8.180 nan 0.000 0.571 27 K N 6.442 126.903 120.400 0.102 0.000 2.443 27 K HA 0.533 4.853 4.320 -0.000 0.000 0.252 27 K C -1.559 174.878 176.600 -0.272 0.000 0.933 27 K CA -0.503 55.544 56.287 -0.400 0.000 0.792 27 K CB 0.926 33.287 32.500 -0.232 0.000 1.185 27 K HN 0.510 nan 8.250 nan 0.000 0.425 28 L N 1.069 122.080 121.223 -0.354 0.000 2.257 28 L HA 0.650 4.990 4.340 -0.000 0.000 0.257 28 L C 0.389 177.255 176.870 -0.007 0.000 1.033 28 L CA -0.931 53.832 54.840 -0.128 0.000 0.835 28 L CB 1.919 43.895 42.059 -0.138 0.000 1.398 28 L HN 0.840 nan 8.230 nan 0.000 0.429 29 T N -0.604 113.981 114.554 0.052 0.000 5.254 29 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 29 T C 0.804 175.555 174.700 0.084 0.000 2.219 29 T CA 0.395 62.536 62.100 0.068 0.000 3.807 29 T CB -1.269 67.645 68.868 0.078 0.000 0.159 29 T HN 1.269 nan 8.240 nan 0.000 1.149 30 G N 3.065 111.911 108.800 0.076 0.000 2.979 30 G HA2 0.213 4.173 3.960 -0.000 0.000 0.225 30 G HA3 0.213 4.173 3.960 -0.000 0.000 0.225 30 G C 0.102 175.033 174.900 0.051 0.000 0.862 30 G CA 0.991 46.133 45.100 0.071 0.000 1.798 30 G HN 0.991 nan 8.290 nan 0.000 0.562 31 D N -1.600 118.865 120.400 0.108 0.000 3.496 31 D HA 0.032 4.672 4.640 -0.000 0.000 0.225 31 D C -0.160 176.225 176.300 0.141 0.000 1.490 31 D CA -0.742 53.319 54.000 0.103 0.000 1.147 31 D CB -1.423 39.405 40.800 0.046 0.000 1.335 31 D HN 0.281 nan 8.370 nan 0.000 0.720 32 E N 0.289 120.610 120.200 0.201 0.000 3.702 32 E HA -0.137 4.213 4.350 -0.000 0.000 0.159 32 E C -0.197 176.614 176.600 0.351 0.000 1.963 32 E CA 1.154 57.734 56.400 0.301 0.000 0.824 32 E CB -0.782 29.131 29.700 0.356 0.000 1.065 32 E HN 0.672 nan 8.360 nan 0.000 0.346 33 S N 1.840 117.732 115.700 0.320 0.000 2.693 33 S HA 0.424 4.894 4.470 -0.000 0.000 0.276 33 S C 1.102 175.971 174.600 0.449 0.000 1.192 33 S CA -0.891 57.511 58.200 0.336 0.000 0.994 33 S CB 1.508 64.850 63.200 0.238 0.000 1.012 33 S HN 0.338 nan 8.310 nan 0.000 0.550 34 L N 1.666 123.170 121.223 0.468 0.000 1.963 34 L HA -0.147 4.193 4.340 -0.000 0.000 0.220 34 L C 1.808 178.834 176.870 0.260 0.000 1.076 34 L CA 2.070 57.123 54.840 0.355 0.000 0.772 34 L CB -1.982 40.260 42.059 0.305 0.000 0.892 34 L HN 0.858 nan 8.230 nan 0.000 0.435 35 N N -0.458 118.408 118.700 0.277 0.000 2.609 35 N HA -0.114 4.626 4.740 -0.000 0.000 0.190 35 N C 1.038 176.739 175.510 0.319 0.000 1.157 35 N CA 0.654 53.880 53.050 0.293 0.000 0.918 35 N CB -0.096 38.533 38.487 0.237 0.000 0.978 35 N HN 0.493 nan 8.380 nan 0.000 0.448 36 D N -0.330 120.252 120.400 0.303 0.000 2.085 36 D HA -0.029 4.611 4.640 -0.000 0.000 0.199 36 D C 1.742 178.256 176.300 0.358 0.000 0.981 36 D CA 0.736 54.919 54.000 0.305 0.000 0.834 36 D CB -0.106 40.885 40.800 0.320 0.000 0.992 36 D HN 0.168 nan 8.370 nan 0.000 0.457 37 L N -0.674 120.797 121.223 0.414 0.000 2.187 37 L HA -0.136 4.204 4.340 -0.000 0.000 0.213 37 L C 2.175 179.382 176.870 0.561 0.000 1.100 37 L CA 0.931 56.129 54.840 0.596 0.000 0.765 37 L CB -0.500 41.715 42.059 0.262 0.000 0.904 37 L HN 0.248 nan 8.230 nan 0.000 0.437 38 W N 1.992 123.464 121.300 0.286 0.000 2.443 38 W HA -0.113 4.547 4.660 -0.000 0.000 0.296 38 W C 2.293 178.826 176.519 0.024 0.000 1.202 38 W CA 1.289 58.712 57.345 0.131 0.000 1.312 38 W CB -0.010 29.513 29.460 0.105 0.000 1.120 38 W HN 0.125 nan 8.180 nan 0.000 0.536 39 L N -0.781 120.496 121.223 0.089 0.000 2.240 39 L HA 0.073 4.413 4.340 -0.000 0.000 0.211 39 L C 1.941 178.623 176.870 -0.314 0.000 1.106 39 L CA 1.677 56.413 54.840 -0.173 0.000 0.793 39 L CB -1.355 40.735 42.059 0.051 0.000 0.927 39 L HN -0.157 nan 8.230 nan 0.000 0.446 40 E N 0.794 120.834 120.200 -0.266 0.000 2.005 40 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 40 E C 2.006 178.067 176.600 -0.899 0.000 0.987 40 E CA 1.078 57.132 56.400 -0.577 0.000 0.814 40 E CB -0.756 28.650 29.700 -0.490 0.000 0.772 40 E HN 0.486 nan 8.360 nan 0.000 0.453 41 N N 0.943 119.093 118.700 -0.916 0.000 2.144 41 N HA -0.179 4.561 4.740 -0.000 0.000 0.195 41 N C 1.794 177.080 175.510 -0.374 0.000 1.006 41 N CA 1.704 54.456 53.050 -0.497 0.000 0.880 41 N CB -0.736 37.758 38.487 0.010 0.000 1.018 41 N HN 0.261 nan 8.380 nan 0.000 0.443 42 G N -0.164 108.319 108.800 -0.529 0.000 2.535 42 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 42 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 42 G C 1.664 176.276 174.900 -0.480 0.000 1.122 42 G CA 0.572 45.341 45.100 -0.551 0.000 0.769 42 G HN 0.381 nan 8.290 nan 0.000 0.549 43 K N -0.557 119.453 120.400 -0.650 0.000 1.991 43 K HA 0.023 4.343 4.320 -0.000 0.000 0.207 43 K C 0.114 176.342 176.600 -0.619 0.000 1.045 43 K CA 0.306 56.173 56.287 -0.701 0.000 0.937 43 K CB -0.154 31.724 32.500 -1.038 0.000 0.720 43 K HN 0.407 nan 8.250 nan 0.000 0.438 44 Y N 0.367 120.435 120.300 -0.386 0.000 2.569 44 Y HA -0.005 4.545 4.550 -0.000 0.000 0.332 44 Y C 1.151 176.635 175.900 -0.694 0.000 1.120 44 Y CA -0.658 57.155 58.100 -0.478 0.000 1.416 44 Y CB 0.631 38.805 38.460 -0.475 0.000 1.210 44 Y HN 0.143 nan 8.280 nan 0.000 0.528 45 A N 2.251 124.883 122.820 -0.313 0.000 2.030 45 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 45 A C 1.386 178.820 177.584 -0.250 0.000 1.164 45 A CA 0.977 52.850 52.037 -0.273 0.000 0.697 45 A CB -0.307 18.601 19.000 -0.153 0.000 0.827 45 A HN 0.691 nan 8.150 nan 0.000 0.457 46 T N -1.596 112.822 114.554 -0.226 0.000 2.910 46 T HA 0.384 4.734 4.350 -0.000 0.000 0.279 46 T C -0.448 174.144 174.700 -0.180 0.000 0.989 46 T CA -0.661 61.353 62.100 -0.144 0.000 0.968 46 T CB 0.525 69.339 68.868 -0.089 0.000 1.135 46 T HN 0.143 nan 8.240 nan 0.000 0.562 47 D N 0.800 121.150 120.400 -0.084 0.000 2.449 47 D HA 0.328 4.968 4.640 -0.000 0.000 0.236 47 D C 0.407 176.564 176.300 -0.238 0.000 1.149 47 D CA 0.214 54.154 54.000 -0.101 0.000 0.878 47 D CB 0.920 41.626 40.800 -0.157 0.000 1.198 47 D HN 0.642 nan 8.370 nan 0.000 0.446 48 V N -0.633 119.130 119.914 -0.252 0.000 3.074 48 V HA 0.549 4.669 4.120 -0.000 0.000 0.314 48 V C -0.986 174.884 176.094 -0.374 0.000 1.117 48 V CA -0.997 61.078 62.300 -0.376 0.000 1.014 48 V CB 1.362 32.866 31.823 -0.532 0.000 1.057 48 V HN 0.279 nan 8.190 nan 0.000 0.438 49 Y N 0.517 120.739 120.300 -0.131 0.000 2.361 49 Y HA 0.862 5.412 4.550 -0.000 0.000 0.332 49 Y C 0.448 176.313 175.900 -0.058 0.000 1.101 49 Y CA -0.201 57.859 58.100 -0.066 0.000 1.137 49 Y CB 1.885 40.335 38.460 -0.017 0.000 1.207 49 Y HN 1.134 nan 8.280 nan 0.000 0.463 50 A N 3.233 126.126 122.820 0.123 0.000 2.488 50 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 50 A C -1.978 175.549 177.584 -0.095 0.000 1.044 50 A CA -0.723 51.307 52.037 -0.012 0.000 0.693 50 A CB 0.807 19.787 19.000 -0.032 0.000 1.272 50 A HN 0.731 nan 8.150 nan 0.000 0.402 51 Y N -0.142 120.064 120.300 -0.157 0.000 2.609 51 Y HA 0.910 5.460 4.550 -0.000 0.000 0.342 51 Y C 0.275 176.153 175.900 -0.036 0.000 1.058 51 Y CA -0.952 56.993 58.100 -0.258 0.000 1.055 51 Y CB 1.071 39.393 38.460 -0.231 0.000 1.292 51 Y HN 2.246 nan 8.280 nan 0.000 0.476 52 G N 0.899 109.858 108.800 0.265 0.000 2.459 52 G HA2 0.045 4.005 3.960 -0.000 0.000 0.685 52 G HA3 0.045 4.005 3.960 -0.000 0.000 0.685 52 G C -1.695 173.366 174.900 0.269 0.000 1.303 52 G CA -0.746 44.494 45.100 0.233 0.000 0.907 52 G HN 1.060 nan 8.290 nan 0.000 0.632 53 D N -0.435 120.069 120.400 0.173 0.000 2.554 53 D HA 0.238 4.878 4.640 -0.000 0.000 0.251 53 D C 1.353 177.719 176.300 0.111 0.000 1.213 53 D CA 1.103 55.178 54.000 0.123 0.000 0.900 53 D CB 0.474 41.310 40.800 0.060 0.000 1.135 53 D HN 1.360 nan 8.370 nan 0.000 0.522 54 V N 1.920 121.887 119.914 0.088 0.000 2.759 54 V HA 0.179 4.299 4.120 -0.000 0.000 0.342 54 V C 1.466 177.523 176.094 -0.062 0.000 1.228 54 V CA 0.099 62.452 62.300 0.089 0.000 1.302 54 V CB -0.359 31.464 31.823 0.000 0.000 1.496 54 V HN 0.469 nan 8.190 nan 0.000 0.628 55 S N 1.147 116.761 115.700 -0.143 0.000 2.343 55 S HA -0.158 4.312 4.470 -0.000 0.000 0.219 55 S C 1.651 176.074 174.600 -0.295 0.000 1.033 55 S CA 1.219 59.310 58.200 -0.181 0.000 1.014 55 S CB -0.493 62.611 63.200 -0.159 0.000 0.915 55 S HN 0.641 nan 8.310 nan 0.000 0.435 56 K N 0.388 120.455 120.400 -0.556 0.000 2.515 56 K HA 0.015 4.335 4.320 -0.000 0.000 0.196 56 K C -0.328 175.929 176.600 -0.572 0.000 1.038 56 K CA 0.366 56.260 56.287 -0.655 0.000 0.967 56 K CB -0.106 31.887 32.500 -0.846 0.000 0.780 56 K HN 0.537 nan 8.250 nan 0.000 0.483 57 W N 1.619 122.840 121.300 -0.133 0.000 2.448 57 W HA 0.109 4.769 4.660 -0.000 0.000 0.339 57 W C 1.049 177.482 176.519 -0.142 0.000 1.124 57 W CA -1.158 56.096 57.345 -0.152 0.000 1.262 57 W CB 0.530 29.854 29.460 -0.225 0.000 1.251 57 W HN -0.133 nan 8.180 nan 0.000 0.597 58 T N -0.921 113.728 114.554 0.157 0.000 2.729 58 T HA 0.130 4.480 4.350 -0.000 0.000 0.298 58 T C 0.488 175.215 174.700 0.045 0.000 1.013 58 T CA -0.316 61.821 62.100 0.062 0.000 0.957 58 T CB 0.932 69.826 68.868 0.045 0.000 1.130 58 T HN 0.413 nan 8.240 nan 0.000 0.526 59 I N 0.429 121.028 120.570 0.048 0.000 2.385 59 I HA 0.133 4.303 4.170 -0.000 0.000 0.244 59 I C 2.747 178.924 176.117 0.099 0.000 1.089 59 I CA 0.587 61.939 61.300 0.087 0.000 1.410 59 I CB -0.426 37.647 38.000 0.121 0.000 1.117 59 I HN 0.628 nan 8.210 nan 0.000 0.429 60 R N 0.262 120.817 120.500 0.091 0.000 2.140 60 R HA -0.269 4.071 4.340 -0.000 0.000 0.250 60 R C 2.248 178.580 176.300 0.054 0.000 1.150 60 R CA 2.087 58.237 56.100 0.084 0.000 0.966 60 R CB -0.915 29.409 30.300 0.039 0.000 0.869 60 R HN 0.563 nan 8.270 nan 0.000 0.445 61 Q N 0.413 120.222 119.800 0.015 0.000 2.135 61 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 61 Q C 2.244 178.176 176.000 -0.114 0.000 0.981 61 Q CA 1.179 56.963 55.803 -0.032 0.000 0.856 61 Q CB -0.021 28.688 28.738 -0.049 0.000 0.902 61 Q HN 0.437 nan 8.270 nan 0.000 0.425 62 L N -0.162 120.982 121.223 -0.131 0.000 2.209 62 L HA -0.072 4.268 4.340 -0.000 0.000 0.207 62 L C 2.327 179.193 176.870 -0.005 0.000 1.094 62 L CA 0.484 55.151 54.840 -0.290 0.000 0.790 62 L CB -0.127 41.772 42.059 -0.268 0.000 0.932 62 L HN 0.146 nan 8.230 nan 0.000 0.447 63 R N 0.020 120.576 120.500 0.093 0.000 2.115 63 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 63 R C 2.138 178.525 176.300 0.146 0.000 1.100 63 R CA 1.147 57.315 56.100 0.115 0.000 0.980 63 R CB -0.932 29.482 30.300 0.189 0.000 0.875 63 R HN 0.311 nan 8.270 nan 0.000 0.445 64 G N 0.099 108.992 108.800 0.156 0.000 2.498 64 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 64 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 64 G C 1.138 176.131 174.900 0.155 0.000 1.119 64 G CA 0.410 45.593 45.100 0.138 0.000 0.766 64 G HN 0.432 nan 8.290 nan 0.000 0.552 65 H N -0.281 118.852 119.070 0.105 0.000 2.563 65 H HA 0.190 4.746 4.556 -0.000 0.000 0.264 65 H C 1.919 177.344 175.328 0.162 0.000 0.957 65 H CA 0.348 56.515 56.048 0.199 0.000 1.173 65 H CB 0.626 30.612 29.762 0.373 0.000 1.420 65 H HN 0.413 nan 8.280 nan 0.000 0.551 66 G N 1.232 110.163 108.800 0.218 0.000 2.255 66 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.239 66 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.239 66 G C -0.467 174.447 174.900 0.023 0.000 1.083 66 G CA -0.383 44.731 45.100 0.025 0.000 0.826 66 G HN 0.104 nan 8.290 nan 0.000 0.493 67 F N 0.065 119.909 119.950 -0.176 0.000 2.429 67 F HA 0.625 5.152 4.527 -0.000 0.000 0.348 67 F C 1.181 176.620 175.800 -0.603 0.000 1.109 67 F CA -0.639 57.182 58.000 -0.298 0.000 1.232 67 F CB 0.838 39.670 39.000 -0.281 0.000 1.157 67 F HN 0.038 nan 8.300 nan 0.000 0.564 68 I N 4.383 124.712 120.570 -0.402 0.000 2.465 68 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 68 I C -0.958 175.017 176.117 -0.237 0.000 1.014 68 I CA -0.692 60.342 61.300 -0.443 0.000 1.093 68 I CB 1.694 39.550 38.000 -0.240 0.000 1.267 68 I HN 0.340 nan 8.210 nan 0.000 0.431 69 F N 6.633 126.683 119.950 0.167 0.000 2.410 69 F HA 0.555 5.082 4.527 -0.000 0.000 0.349 69 F C 0.090 175.997 175.800 0.178 0.000 1.117 69 F CA -0.712 57.434 58.000 0.243 0.000 1.104 69 F CB 1.122 40.238 39.000 0.195 0.000 1.122 69 F HN 0.172 nan 8.300 nan 0.000 0.483 70 I N 2.537 123.342 120.570 0.391 0.000 2.534 70 I HA 0.536 4.706 4.170 -0.000 0.000 0.288 70 I C -0.275 175.966 176.117 0.208 0.000 1.077 70 I CA -0.202 61.235 61.300 0.228 0.000 1.051 70 I CB 2.085 40.189 38.000 0.173 0.000 1.234 70 I HN 0.587 nan 8.210 nan 0.000 0.425 71 S N 1.661 117.443 115.700 0.137 0.000 2.703 71 S HA 0.417 4.887 4.470 -0.000 0.000 0.273 71 S C 0.575 175.143 174.600 -0.052 0.000 1.178 71 S CA 0.213 58.437 58.200 0.040 0.000 0.838 71 S CB 1.300 64.543 63.200 0.072 0.000 1.178 71 S HN 0.758 nan 8.310 nan 0.000 0.494 72 T N -0.658 113.733 114.554 -0.272 0.000 3.081 72 T HA 0.306 4.655 4.350 -0.000 0.000 0.255 72 T C 0.353 174.919 174.700 -0.223 0.000 1.113 72 T CA 0.594 62.528 62.100 -0.277 0.000 1.082 72 T CB -0.604 68.040 68.868 -0.372 0.000 0.939 72 T HN 0.631 nan 8.240 nan 0.000 0.506 73 H N 0.130 119.238 119.070 0.064 0.000 2.502 73 H HA 0.504 5.060 4.556 -0.000 0.000 0.338 73 H C 1.092 176.457 175.328 0.061 0.000 1.155 73 H CA -0.977 55.103 56.048 0.053 0.000 1.237 73 H CB 1.867 31.656 29.762 0.046 0.000 1.534 73 H HN -0.054 nan 8.280 nan 0.000 0.523 74 K N 0.886 121.389 120.400 0.172 0.000 2.442 74 K HA -0.114 4.206 4.320 -0.000 0.000 0.198 74 K C -0.430 176.233 176.600 0.104 0.000 1.044 74 K CA 0.895 57.249 56.287 0.112 0.000 0.948 74 K CB 0.088 32.637 32.500 0.083 0.000 0.762 74 K HN 0.717 nan 8.250 nan 0.000 0.472 75 N N -2.110 116.657 118.700 0.112 0.000 3.227 75 N HA 0.179 4.919 4.740 -0.000 0.000 0.241 75 N C -1.803 173.735 175.510 0.047 0.000 1.480 75 N CA -0.787 52.299 53.050 0.059 0.000 0.886 75 N CB 1.561 40.064 38.487 0.027 0.000 1.406 75 N HN -0.173 nan 8.380 nan 0.000 0.514 76 V N -0.682 119.210 119.914 -0.037 0.000 2.789 76 V HA 0.495 4.615 4.120 -0.000 0.000 0.300 76 V C -1.226 174.795 176.094 -0.121 0.000 1.184 76 V CA -0.535 61.730 62.300 -0.059 0.000 0.930 76 V CB 1.752 33.545 31.823 -0.050 0.000 1.041 76 V HN 0.872 nan 8.190 nan 0.000 0.430 77 Q N 3.387 123.138 119.800 -0.082 0.000 2.349 77 Q HA 0.517 4.857 4.340 -0.000 0.000 0.287 77 Q C -0.949 174.973 176.000 -0.129 0.000 1.044 77 Q CA 0.872 56.621 55.803 -0.091 0.000 0.918 77 Q CB 0.946 29.645 28.738 -0.066 0.000 1.242 77 Q HN 0.792 nan 8.270 nan 0.000 0.405 78 L N 1.139 122.289 121.223 -0.122 0.000 2.332 78 L HA 0.679 5.019 4.340 -0.000 0.000 0.242 78 L C 0.227 177.041 176.870 -0.094 0.000 1.127 78 L CA 0.065 54.829 54.840 -0.126 0.000 0.948 78 L CB 0.911 42.885 42.059 -0.141 0.000 1.553 78 L HN 0.648 nan 8.230 nan 0.000 0.419 79 A N -1.147 121.625 122.820 -0.080 0.000 2.063 79 A HA 0.078 4.398 4.320 -0.000 0.000 0.211 79 A C 1.422 178.979 177.584 -0.044 0.000 1.177 79 A CA 0.720 52.712 52.037 -0.074 0.000 0.759 79 A CB -0.228 18.714 19.000 -0.096 0.000 0.857 79 A HN 0.740 nan 8.150 nan 0.000 0.468 80 D N 0.053 120.436 120.400 -0.027 0.000 2.085 80 D HA 0.078 4.718 4.640 -0.000 0.000 0.199 80 D C 0.906 177.200 176.300 -0.009 0.000 0.981 80 D CA 1.866 55.861 54.000 -0.008 0.000 0.834 80 D CB 0.121 40.928 40.800 0.010 0.000 0.992 80 D HN 0.548 nan 8.370 nan 0.000 0.457 81 I N -3.888 116.671 120.570 -0.018 0.000 3.437 81 I HA 0.344 4.514 4.170 -0.000 0.000 0.319 81 I C -1.170 174.923 176.117 -0.039 0.000 1.259 81 I CA -1.017 60.273 61.300 -0.016 0.000 0.927 81 I CB 1.665 39.670 38.000 0.007 0.000 1.322 81 I HN -0.304 nan 8.210 nan 0.000 0.473 82 I N 1.921 122.473 120.570 -0.030 0.000 2.388 82 I HA 0.410 4.580 4.170 -0.000 0.000 0.281 82 I C -0.587 175.506 176.117 -0.039 0.000 1.046 82 I CA -0.543 60.729 61.300 -0.046 0.000 1.187 82 I CB 0.979 38.960 38.000 -0.031 0.000 1.351 82 I HN 0.445 nan 8.210 nan 0.000 0.472 83 K N 4.290 124.639 120.400 -0.085 0.000 2.297 83 K HA 0.211 4.531 4.320 -0.000 0.000 0.286 83 K C 0.024 176.618 176.600 -0.010 0.000 1.053 83 K CA -0.035 56.220 56.287 -0.054 0.000 0.940 83 K CB 0.759 33.175 32.500 -0.141 0.000 1.019 83 K HN 0.404 nan 8.250 nan 0.000 0.475 84 T N 4.024 118.616 114.554 0.063 0.000 2.829 84 T HA 0.015 4.365 4.350 -0.000 0.000 0.293 84 T C -0.244 174.540 174.700 0.141 0.000 0.970 84 T CA -0.224 61.930 62.100 0.090 0.000 1.168 84 T CB 0.122 69.047 68.868 0.095 0.000 0.911 84 T HN 0.386 nan 8.240 nan 0.000 0.535 85 V N 5.584 125.580 119.914 0.137 0.000 2.625 85 V HA -0.070 4.050 4.120 -0.000 0.000 0.305 85 V C 1.440 177.654 176.094 0.201 0.000 1.055 85 V CA 0.334 62.753 62.300 0.199 0.000 1.209 85 V CB 0.569 32.492 31.823 0.168 0.000 0.877 85 V HN 0.898 nan 8.190 nan 0.000 0.489 86 D N 3.437 123.995 120.400 0.265 0.000 2.117 86 D HA -0.043 4.597 4.640 -0.000 0.000 0.197 86 D C 0.346 176.702 176.300 0.093 0.000 0.987 86 D CA 1.277 55.374 54.000 0.162 0.000 0.829 86 D CB 0.210 41.072 40.800 0.104 0.000 0.961 86 D HN 0.388 nan 8.370 nan 0.000 0.460 87 V N 0.913 120.885 119.914 0.098 0.000 2.488 87 V HA 0.276 4.396 4.120 -0.000 0.000 0.293 87 V C -0.144 175.986 176.094 0.060 0.000 1.027 87 V CA -0.869 61.458 62.300 0.044 0.000 0.862 87 V CB 2.562 34.383 31.823 -0.004 0.000 1.008 87 V HN -0.125 nan 8.190 nan 0.000 0.428 88 R N 4.746 125.274 120.500 0.046 0.000 2.229 88 R HA 0.504 4.844 4.340 -0.000 0.000 0.332 88 R C -0.787 175.531 176.300 0.029 0.000 0.989 88 R CA -0.763 55.365 56.100 0.047 0.000 0.842 88 R CB 1.002 31.332 30.300 0.050 0.000 1.119 88 R HN 0.540 nan 8.270 nan 0.000 0.456 89 I N 6.770 127.363 120.570 0.038 0.000 2.533 89 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 89 I C -1.905 174.232 176.117 0.033 0.000 1.109 89 I CA -2.973 58.355 61.300 0.048 0.000 1.412 89 I CB 0.449 38.517 38.000 0.115 0.000 1.396 89 I HN 0.357 nan 8.210 nan 0.000 0.543 90 P HA 0.204 nan 4.420 nan 0.000 0.267 90 P C 1.020 178.338 177.300 0.029 0.000 1.205 90 P CA -0.340 62.775 63.100 0.026 0.000 0.765 90 P CB 0.667 32.380 31.700 0.021 0.000 0.828 91 R N 2.598 123.112 120.500 0.023 0.000 2.249 91 R HA -0.285 4.055 4.340 -0.000 0.000 0.229 91 R C 1.684 178.001 176.300 0.029 0.000 1.104 91 R CA 2.311 58.424 56.100 0.022 0.000 0.876 91 R CB -0.833 29.479 30.300 0.020 0.000 0.871 91 R HN 0.625 nan 8.270 nan 0.000 0.426 92 E N -0.143 120.072 120.200 0.024 0.000 2.086 92 E HA -0.180 4.170 4.350 -0.000 0.000 0.200 92 E C 1.575 178.196 176.600 0.034 0.000 1.012 92 E CA 1.399 57.813 56.400 0.023 0.000 0.812 92 E CB -0.131 29.579 29.700 0.016 0.000 0.743 92 E HN 0.118 nan 8.360 nan 0.000 0.453 93 V N 1.075 121.012 119.914 0.039 0.000 3.488 93 V HA -0.093 4.027 4.120 -0.000 0.000 0.286 93 V C 1.042 177.185 176.094 0.082 0.000 1.206 93 V CA 0.728 63.060 62.300 0.054 0.000 1.238 93 V CB -1.126 30.724 31.823 0.046 0.000 1.004 93 V HN 0.278 nan 8.190 nan 0.000 0.445 94 A N 0.681 123.547 122.820 0.076 0.000 2.353 94 A HA 0.224 4.544 4.320 -0.000 0.000 0.218 94 A C 2.162 179.823 177.584 0.128 0.000 1.760 94 A CA 1.046 53.139 52.037 0.092 0.000 0.638 94 A CB 0.025 19.078 19.000 0.089 0.000 1.280 94 A HN 0.390 nan 8.150 nan 0.000 0.511 95 R N -4.086 116.512 120.500 0.164 0.000 2.624 95 R HA 0.146 4.486 4.340 -0.000 0.000 0.176 95 R C 0.599 176.931 176.300 0.053 0.000 0.956 95 R CA 1.104 57.303 56.100 0.165 0.000 1.723 95 R CB 0.494 30.834 30.300 0.067 0.000 1.693 95 R HN 0.534 nan 8.270 nan 0.000 0.520 96 S N -0.061 115.570 115.700 -0.114 0.000 2.206 96 S HA -0.168 4.302 4.470 -0.000 0.000 0.241 96 S C -0.628 173.982 174.600 0.018 0.000 1.163 96 S CA 1.465 59.638 58.200 -0.044 0.000 1.532 96 S CB -1.133 62.074 63.200 0.013 0.000 1.946 96 S HN 0.654 nan 8.310 nan 0.000 0.590 97 H N 2.252 121.311 119.070 -0.019 0.000 1.538 97 H HA -0.042 4.513 4.556 -0.000 0.000 0.323 97 H C -0.044 175.240 175.328 -0.073 0.000 0.765 97 H CA 1.271 57.280 56.048 -0.065 0.000 1.086 97 H CB -1.290 28.448 29.762 -0.041 0.000 1.467 97 H HN 0.446 nan 8.280 nan 0.000 0.243 98 D N 1.640 122.074 120.400 0.057 0.000 2.232 98 D HA 0.096 4.736 4.640 -0.000 0.000 0.242 98 D C 1.174 177.478 176.300 0.007 0.000 1.093 98 D CA -0.729 53.287 54.000 0.026 0.000 0.845 98 D CB 0.950 41.772 40.800 0.037 0.000 1.124 98 D HN 0.205 nan 8.370 nan 0.000 0.467 99 M N 4.206 123.787 119.600 -0.031 0.000 2.254 99 M HA -0.005 4.475 4.480 -0.000 0.000 0.265 99 M C 1.295 177.637 176.300 0.070 0.000 1.066 99 M CA 1.653 56.926 55.300 -0.046 0.000 1.123 99 M CB -0.089 32.426 32.600 -0.142 0.000 1.388 99 M HN 0.304 nan 8.290 nan 0.000 0.425 100 K N -0.572 119.853 120.400 0.043 0.000 1.995 100 K HA 0.137 4.457 4.320 -0.000 0.000 0.207 100 K C 2.039 178.673 176.600 0.055 0.000 1.041 100 K CA 1.125 57.440 56.287 0.045 0.000 0.942 100 K CB -0.656 31.865 32.500 0.035 0.000 0.731 100 K HN 0.308 nan 8.250 nan 0.000 0.439 101 A N 1.741 124.594 122.820 0.056 0.000 1.929 101 A HA -0.290 4.030 4.320 -0.000 0.000 0.221 101 A C 2.067 179.696 177.584 0.075 0.000 1.211 101 A CA 2.078 54.148 52.037 0.054 0.000 0.657 101 A CB -1.079 17.955 19.000 0.057 0.000 0.827 101 A HN 0.413 nan 8.150 nan 0.000 0.462 102 F N 0.739 120.661 119.950 -0.046 0.000 2.025 102 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 102 F C 2.325 178.102 175.800 -0.038 0.000 1.132 102 F CA 2.481 60.445 58.000 -0.060 0.000 1.191 102 F CB -0.544 38.388 39.000 -0.112 0.000 0.963 102 F HN 0.406 nan 8.300 nan 0.000 0.481 103 E N -0.072 120.071 120.200 -0.094 0.000 2.051 103 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 103 E C 1.994 178.502 176.600 -0.155 0.000 0.991 103 E CA 1.488 57.787 56.400 -0.169 0.000 0.799 103 E CB -0.499 29.213 29.700 0.020 0.000 0.748 103 E HN 0.499 nan 8.360 nan 0.000 0.449 104 N N 0.637 119.288 118.700 -0.081 0.000 2.091 104 N HA -0.238 4.502 4.740 -0.000 0.000 0.193 104 N C 1.737 177.188 175.510 -0.099 0.000 1.021 104 N CA 1.503 54.510 53.050 -0.072 0.000 0.862 104 N CB -0.047 38.420 38.487 -0.034 0.000 1.018 104 N HN 0.074 nan 8.380 nan 0.000 0.429 105 E N 0.761 120.889 120.200 -0.120 0.000 2.038 105 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 105 E C 1.756 178.250 176.600 -0.178 0.000 1.000 105 E CA 1.161 57.482 56.400 -0.132 0.000 0.803 105 E CB -0.306 29.320 29.700 -0.124 0.000 0.750 105 E HN 0.375 nan 8.360 nan 0.000 0.448 106 I N 0.150 120.553 120.570 -0.280 0.000 2.151 106 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 106 I C 2.397 178.414 176.117 -0.167 0.000 1.080 106 I CA 1.486 62.635 61.300 -0.253 0.000 1.339 106 I CB -0.762 37.051 38.000 -0.312 0.000 1.039 106 I HN 0.298 nan 8.210 nan 0.000 0.409 107 G N 0.627 109.336 108.800 -0.153 0.000 2.440 107 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.218 107 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.218 107 G C 1.731 176.555 174.900 -0.125 0.000 1.154 107 G CA 0.534 45.553 45.100 -0.135 0.000 0.767 107 G HN 0.304 nan 8.290 nan 0.000 0.552 108 R N 0.111 120.546 120.500 -0.108 0.000 2.127 108 R HA -0.113 4.227 4.340 -0.000 0.000 0.228 108 R C 2.589 178.836 176.300 -0.090 0.000 1.125 108 R CA 1.589 57.635 56.100 -0.090 0.000 0.904 108 R CB -0.564 29.694 30.300 -0.070 0.000 0.831 108 R HN 0.298 nan 8.270 nan 0.000 0.431 109 R N 1.475 121.928 120.500 -0.078 0.000 2.178 109 R HA -0.231 4.109 4.340 -0.000 0.000 0.257 109 R C 2.099 178.350 176.300 -0.082 0.000 1.163 109 R CA 2.122 58.182 56.100 -0.066 0.000 0.981 109 R CB -0.491 29.776 30.300 -0.055 0.000 0.878 109 R HN 0.156 nan 8.270 nan 0.000 0.454 110 R N -0.403 120.033 120.500 -0.107 0.000 2.096 110 R HA -0.015 4.325 4.340 -0.000 0.000 0.235 110 R C 2.056 178.247 176.300 -0.181 0.000 1.127 110 R CA 1.998 58.021 56.100 -0.129 0.000 0.968 110 R CB -0.184 30.037 30.300 -0.132 0.000 0.861 110 R HN 0.404 nan 8.270 nan 0.000 0.440 111 I N -0.365 120.096 120.570 -0.182 0.000 2.852 111 I HA -0.107 4.063 4.170 -0.000 0.000 0.264 111 I C 2.134 178.148 176.117 -0.172 0.000 1.179 111 I CA 0.359 61.520 61.300 -0.231 0.000 1.480 111 I CB -0.117 37.775 38.000 -0.179 0.000 1.111 111 I HN 0.021 nan 8.210 nan 0.000 0.441 112 R N 0.632 121.066 120.500 -0.109 0.000 2.096 112 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 112 R C 2.195 178.464 176.300 -0.052 0.000 1.127 112 R CA 1.351 57.413 56.100 -0.064 0.000 0.968 112 R CB -0.431 29.844 30.300 -0.042 0.000 0.861 112 R HN 0.403 nan 8.270 nan 0.000 0.440 113 M N 0.019 119.579 119.600 -0.067 0.000 2.159 113 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 113 M C 2.132 178.419 176.300 -0.021 0.000 1.063 113 M CA 1.433 56.718 55.300 -0.026 0.000 1.110 113 M CB -0.288 32.291 32.600 -0.036 0.000 1.374 113 M HN 0.075 nan 8.290 nan 0.000 0.411 114 R N 0.007 120.399 120.500 -0.181 0.000 2.198 114 R HA -0.246 4.094 4.340 -0.000 0.000 0.258 114 R C 2.121 178.438 176.300 0.028 0.000 1.173 114 R CA 1.544 57.491 56.100 -0.254 0.000 0.991 114 R CB -0.506 29.475 30.300 -0.532 0.000 0.879 114 R HN 0.420 nan 8.270 nan 0.000 0.460 115 K N -0.269 120.145 120.400 0.024 0.000 2.155 115 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 115 K C 2.135 178.807 176.600 0.120 0.000 1.052 115 K CA 1.077 57.402 56.287 0.062 0.000 0.948 115 K CB -0.107 32.421 32.500 0.046 0.000 0.728 115 K HN 0.285 nan 8.250 nan 0.000 0.448 116 G N 1.267 110.160 108.800 0.155 0.000 2.446 116 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 116 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 116 G C 1.237 176.285 174.900 0.246 0.000 1.168 116 G CA 0.754 45.971 45.100 0.195 0.000 0.771 116 G HN 0.318 nan 8.290 nan 0.000 0.551 117 F N 2.264 122.312 119.950 0.164 0.000 1.990 117 F HA -0.013 4.514 4.527 -0.000 0.000 0.297 117 F C 2.687 178.573 175.800 0.144 0.000 1.199 117 F CA 2.032 60.125 58.000 0.154 0.000 1.184 117 F CB -0.923 38.236 39.000 0.266 0.000 0.956 117 F HN 0.144 nan 8.300 nan 0.000 0.503 118 G N -0.146 108.535 108.800 -0.199 0.000 2.661 118 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.224 118 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.224 118 G C 1.307 176.234 174.900 0.046 0.000 1.114 118 G CA 1.603 46.662 45.100 -0.069 0.000 0.751 118 G HN 0.491 nan 8.290 nan 0.000 0.609 119 D N 0.552 120.986 120.400 0.056 0.000 2.077 119 D HA 0.081 4.721 4.640 -0.000 0.000 0.196 119 D C 2.883 179.227 176.300 0.072 0.000 0.986 119 D CA 1.448 55.502 54.000 0.090 0.000 0.829 119 D CB -0.750 40.113 40.800 0.106 0.000 0.983 119 D HN 0.298 nan 8.370 nan 0.000 0.453 120 A N 0.562 123.413 122.820 0.051 0.000 1.903 120 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 120 A C 2.305 179.908 177.584 0.031 0.000 1.191 120 A CA 1.496 53.563 52.037 0.050 0.000 0.638 120 A CB -1.032 17.983 19.000 0.026 0.000 0.823 120 A HN 0.232 nan 8.150 nan 0.000 0.451 121 L N -1.597 119.586 121.223 -0.068 0.000 1.932 121 L HA -0.234 4.106 4.340 -0.000 0.000 0.217 121 L C 2.676 179.548 176.870 0.004 0.000 1.077 121 L CA 2.034 56.821 54.840 -0.088 0.000 0.765 121 L CB -0.724 41.177 42.059 -0.264 0.000 0.888 121 L HN 0.411 nan 8.230 nan 0.000 0.433 122 R N 0.119 120.603 120.500 -0.027 0.000 2.189 122 R HA -0.291 4.049 4.340 -0.000 0.000 0.252 122 R C 2.122 178.347 176.300 -0.125 0.000 1.134 122 R CA 2.568 58.609 56.100 -0.098 0.000 0.954 122 R CB -0.407 29.911 30.300 0.029 0.000 0.890 122 R HN 0.406 nan 8.270 nan 0.000 0.443 123 N N -0.749 118.002 118.700 0.085 0.000 2.223 123 N HA -0.191 4.549 4.740 -0.000 0.000 0.185 123 N C 1.289 176.883 175.510 0.141 0.000 1.016 123 N CA 1.290 54.453 53.050 0.188 0.000 0.863 123 N CB -0.424 38.167 38.487 0.174 0.000 0.983 123 N HN 0.417 nan 8.380 nan 0.000 0.429 124 Y N 0.820 121.107 120.300 -0.023 0.000 2.200 124 Y HA -0.053 4.497 4.550 -0.000 0.000 0.290 124 Y C 2.115 177.970 175.900 -0.076 0.000 1.137 124 Y CA 1.630 59.691 58.100 -0.064 0.000 1.163 124 Y CB -0.396 38.023 38.460 -0.069 0.000 0.988 124 Y HN 0.049 nan 8.280 nan 0.000 0.518 125 A N -0.207 122.507 122.820 -0.178 0.000 1.929 125 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 125 A C 1.971 179.495 177.584 -0.100 0.000 1.176 125 A CA 1.130 52.990 52.037 -0.294 0.000 0.628 125 A CB -1.465 17.415 19.000 -0.201 0.000 0.816 125 A HN 0.582 nan 8.150 nan 0.000 0.444 126 F N 0.223 120.270 119.950 0.163 0.000 2.546 126 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 126 F C 1.939 177.820 175.800 0.136 0.000 1.120 126 F CA 0.664 58.783 58.000 0.198 0.000 1.456 126 F CB 0.200 39.186 39.000 -0.024 0.000 1.088 126 F HN 0.051 nan 8.300 nan 0.000 0.572 127 K N -0.602 119.837 120.400 0.065 0.000 2.393 127 K HA 0.144 4.464 4.320 -0.000 0.000 0.193 127 K C 1.374 177.845 176.600 -0.215 0.000 1.026 127 K CA 0.590 56.830 56.287 -0.078 0.000 1.064 127 K CB 0.298 32.689 32.500 -0.181 0.000 0.833 127 K HN 0.333 nan 8.250 nan 0.000 0.521 128 M N -1.058 118.380 119.600 -0.270 0.000 2.330 128 M HA 0.232 4.712 4.480 -0.000 0.000 0.207 128 M C 0.848 177.055 176.300 -0.155 0.000 1.622 128 M CA 0.213 55.318 55.300 -0.324 0.000 1.045 128 M CB -0.287 31.904 32.600 -0.682 0.000 1.461 128 M HN -0.127 nan 8.290 nan 0.000 0.564 129 A N 0.274 123.015 122.820 -0.132 0.000 2.242 129 A HA 0.672 4.992 4.320 -0.000 0.000 0.304 129 A C 0.818 178.476 177.584 0.124 0.000 1.100 129 A CA -0.184 51.782 52.037 -0.118 0.000 0.860 129 A CB 1.016 19.774 19.000 -0.403 0.000 1.168 129 A HN 0.224 nan 8.150 nan 0.000 0.503 130 I N -1.323 119.309 120.570 0.103 0.000 4.046 130 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 130 I C 0.581 176.929 176.117 0.386 0.000 1.183 130 I CA 0.473 61.941 61.300 0.279 0.000 1.337 130 I CB 0.023 38.112 38.000 0.148 0.000 1.478 130 I HN 0.687 nan 8.210 nan 0.000 0.452 131 E N 0.773 121.099 120.200 0.210 0.000 2.343 131 E HA 0.364 4.714 4.350 -0.000 0.000 0.269 131 E C -1.367 175.326 176.600 0.155 0.000 1.047 131 E CA -0.079 56.520 56.400 0.331 0.000 0.874 131 E CB 1.063 30.854 29.700 0.151 0.000 1.033 131 E HN -0.039 nan 8.360 nan 0.000 0.409 132 F N 0.750 120.963 119.950 0.437 0.000 2.561 132 F HA 0.285 4.812 4.527 -0.000 0.000 0.313 132 F C -0.135 175.899 175.800 0.391 0.000 1.126 132 F CA -0.534 57.646 58.000 0.301 0.000 0.918 132 F CB 1.629 40.746 39.000 0.194 0.000 1.199 132 F HN 0.362 nan 8.300 nan 0.000 0.444 133 H N 1.123 120.196 119.070 0.005 0.000 2.589 133 H HA 0.488 5.044 4.556 -0.000 0.000 0.351 133 H C 0.375 175.230 175.328 -0.789 0.000 1.074 133 H CA -0.739 55.136 56.048 -0.288 0.000 1.203 133 H CB 2.162 31.745 29.762 -0.297 0.000 1.558 133 H HN 0.868 nan 8.280 nan 0.000 0.522 134 G N 2.825 111.240 108.800 -0.641 0.000 2.291 134 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.271 134 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.271 134 G C -0.113 174.700 174.900 -0.145 0.000 1.099 134 G CA 0.189 44.923 45.100 -0.609 0.000 0.919 134 G HN 0.503 nan 8.290 nan 0.000 0.496 135 S N -0.744 114.922 115.700 -0.056 0.000 2.681 135 S HA 0.785 5.255 4.470 -0.000 0.000 0.270 135 S C 0.435 175.052 174.600 0.027 0.000 1.209 135 S CA -0.224 58.001 58.200 0.040 0.000 0.988 135 S CB 2.047 65.273 63.200 0.043 0.000 1.006 135 S HN 0.610 nan 8.310 nan 0.000 0.558 136 E N -1.360 118.871 120.200 0.052 0.000 2.449 136 E HA 0.506 4.856 4.350 -0.000 0.000 0.278 136 E C 0.472 177.118 176.600 0.076 0.000 1.059 136 E CA -0.486 55.942 56.400 0.046 0.000 0.854 136 E CB 0.942 30.687 29.700 0.076 0.000 1.465 136 E HN 0.488 nan 8.360 nan 0.000 0.462 137 A N 0.927 123.819 122.820 0.122 0.000 2.023 137 A HA -0.317 4.003 4.320 -0.000 0.000 0.223 137 A C 1.753 179.480 177.584 0.239 0.000 1.180 137 A CA 2.563 54.758 52.037 0.263 0.000 0.659 137 A CB -0.816 18.373 19.000 0.315 0.000 0.817 137 A HN 0.638 nan 8.150 nan 0.000 0.466 138 E N -0.425 119.876 120.200 0.168 0.000 2.008 138 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 138 E C 1.792 178.481 176.600 0.148 0.000 0.986 138 E CA 1.943 58.434 56.400 0.151 0.000 0.807 138 E CB -1.703 28.084 29.700 0.144 0.000 0.766 138 E HN 0.380 nan 8.360 nan 0.000 0.450 139 T N 2.279 116.918 114.554 0.142 0.000 2.778 139 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 139 T C 2.036 176.773 174.700 0.062 0.000 1.050 139 T CA 1.449 63.622 62.100 0.122 0.000 1.137 139 T CB -0.302 68.590 68.868 0.040 0.000 0.860 139 T HN 0.095 nan 8.240 nan 0.000 0.468 140 L N 0.959 122.233 121.223 0.085 0.000 2.046 140 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 140 L C 2.583 179.594 176.870 0.235 0.000 1.077 140 L CA 1.040 55.971 54.840 0.153 0.000 0.747 140 L CB -0.524 41.607 42.059 0.120 0.000 0.896 140 L HN 0.211 nan 8.230 nan 0.000 0.432 141 N N -0.095 118.723 118.700 0.197 0.000 2.348 141 N HA -0.154 4.586 4.740 -0.000 0.000 0.185 141 N C 0.462 175.964 175.510 -0.014 0.000 1.019 141 N CA 1.164 54.290 53.050 0.126 0.000 0.880 141 N CB -0.062 38.486 38.487 0.103 0.000 0.965 141 N HN 0.383 nan 8.380 nan 0.000 0.437 142 D N -0.747 119.577 120.400 -0.128 0.000 2.650 142 D HA 0.198 4.838 4.640 -0.000 0.000 0.265 142 D C -0.435 175.385 176.300 -0.800 0.000 1.339 142 D CA -0.093 53.693 54.000 -0.358 0.000 0.816 142 D CB 0.552 41.184 40.800 -0.281 0.000 1.091 142 D HN 0.032 nan 8.370 nan 0.000 0.483 143 A N 1.229 123.752 122.820 -0.494 0.000 2.310 143 A HA 0.364 4.684 4.320 -0.000 0.000 0.299 143 A C 0.229 177.669 177.584 -0.239 0.000 1.147 143 A CA -0.550 51.183 52.037 -0.507 0.000 0.818 143 A CB 0.750 19.671 19.000 -0.133 0.000 1.096 143 A HN 0.034 nan 8.150 nan 0.000 0.495 144 N N 3.206 121.932 118.700 0.044 0.000 2.439 144 N HA 0.229 4.969 4.740 -0.000 0.000 0.243 144 N C -1.669 173.806 175.510 -0.058 0.000 1.088 144 N CA -2.226 50.811 53.050 -0.021 0.000 0.940 144 N CB 0.982 39.464 38.487 -0.008 0.000 1.180 144 N HN 0.272 nan 8.380 nan 0.000 0.505 145 P HA -0.091 nan 4.420 nan 0.000 0.226 145 P C 0.644 177.840 177.300 -0.172 0.000 1.153 145 P CA 0.805 63.808 63.100 -0.161 0.000 0.777 145 P CB 0.359 31.773 31.700 -0.476 0.000 0.794 146 R N -0.927 119.379 120.500 -0.324 0.000 2.319 146 R HA 0.122 4.462 4.340 -0.000 0.000 0.204 146 R C 1.332 177.530 176.300 -0.171 0.000 0.954 146 R CA 0.252 56.095 56.100 -0.427 0.000 1.066 146 R CB -0.103 29.933 30.300 -0.439 0.000 0.991 146 R HN 0.220 nan 8.270 nan 0.000 0.486 147 L N -2.378 118.774 121.223 -0.117 0.000 2.195 147 L HA 0.177 4.517 4.340 -0.000 0.000 0.222 147 L C -0.019 176.799 176.870 -0.087 0.000 1.132 147 L CA 0.171 54.932 54.840 -0.132 0.000 1.159 147 L CB 0.229 42.133 42.059 -0.259 0.000 2.382 147 L HN -0.038 nan 8.230 nan 0.000 0.523 148 H N 2.340 121.464 119.070 0.090 0.000 2.679 148 H HA 0.453 5.009 4.556 -0.000 0.000 0.369 148 H C -0.444 174.994 175.328 0.183 0.000 1.178 148 H CA 0.121 56.288 56.048 0.198 0.000 1.419 148 H CB 0.715 30.586 29.762 0.181 0.000 1.458 148 H HN 0.023 nan 8.280 nan 0.000 0.605 149 K N 2.625 123.272 120.400 0.411 0.000 2.604 149 K HA 0.267 4.587 4.320 -0.000 0.000 0.247 149 K C -0.653 176.087 176.600 0.233 0.000 0.956 149 K CA -0.680 55.745 56.287 0.230 0.000 0.896 149 K CB 1.530 34.216 32.500 0.311 0.000 1.131 149 K HN 0.316 nan 8.250 nan 0.000 0.440 150 I N 4.577 125.134 120.570 -0.022 0.000 2.307 150 I HA 0.298 4.468 4.170 -0.000 0.000 0.289 150 I C -0.194 175.803 176.117 -0.200 0.000 1.021 150 I CA -0.862 60.454 61.300 0.026 0.000 1.224 150 I CB -0.335 37.647 38.000 -0.030 0.000 1.376 150 I HN 0.373 nan 8.210 nan 0.000 0.470 151 Y N 3.817 124.077 120.300 -0.066 0.000 2.650 151 Y HA 0.915 5.465 4.550 -0.000 0.000 0.331 151 Y C 0.916 176.671 175.900 -0.241 0.000 1.082 151 Y CA -1.163 56.796 58.100 -0.235 0.000 1.171 151 Y CB 1.625 39.776 38.460 -0.515 0.000 1.326 151 Y HN 0.713 nan 8.280 nan 0.000 0.513 152 G N -0.160 108.598 108.800 -0.070 0.000 2.341 152 G HA2 0.330 4.290 3.960 -0.000 0.000 0.293 152 G HA3 0.330 4.290 3.960 -0.000 0.000 0.293 152 G C -1.909 172.943 174.900 -0.080 0.000 1.298 152 G CA -1.168 43.856 45.100 -0.126 0.000 0.868 152 G HN 0.371 nan 8.290 nan 0.000 0.540 153 M N 2.021 121.583 119.600 -0.064 0.000 2.066 153 M HA 0.292 4.772 4.480 -0.000 0.000 0.264 153 M C -2.599 173.681 176.300 -0.033 0.000 0.886 153 M CA -1.258 54.024 55.300 -0.031 0.000 0.810 153 M CB 1.406 33.998 32.600 -0.013 0.000 1.451 153 M HN 0.302 nan 8.290 nan 0.000 0.373 154 P HA 0.197 nan 4.420 nan 0.000 0.281 154 P C -0.653 176.590 177.300 -0.096 0.000 1.249 154 P CA -0.455 62.609 63.100 -0.060 0.000 0.810 154 P CB 0.737 32.403 31.700 -0.058 0.000 1.008 155 E N 1.479 121.602 120.200 -0.129 0.000 2.376 155 E HA 0.113 4.463 4.350 -0.000 0.000 0.266 155 E C -0.404 176.051 176.600 -0.241 0.000 1.009 155 E CA -0.250 56.047 56.400 -0.171 0.000 0.902 155 E CB 0.192 29.778 29.700 -0.190 0.000 0.972 155 E HN 0.315 nan 8.360 nan 0.000 0.439 156 I N 7.205 127.609 120.570 -0.276 0.000 2.395 156 I HA 0.212 4.382 4.170 -0.000 0.000 0.289 156 I C -1.656 174.251 176.117 -0.351 0.000 1.023 156 I CA -2.088 58.948 61.300 -0.440 0.000 1.350 156 I CB 0.895 38.572 38.000 -0.538 0.000 1.409 156 I HN 0.471 nan 8.210 nan 0.000 0.507 157 P HA 0.174 nan 4.420 nan 0.000 0.272 157 P C -2.589 174.571 177.300 -0.233 0.000 1.240 157 P CA -1.451 61.471 63.100 -0.297 0.000 0.791 157 P CB -0.498 30.982 31.700 -0.366 0.000 0.978 158 P HA 0.139 nan 4.420 nan 0.000 0.265 158 P C -0.713 176.582 177.300 -0.009 0.000 1.222 158 P CA 0.731 63.702 63.100 -0.216 0.000 0.767 158 P CB 0.222 31.503 31.700 -0.699 0.000 0.801 159 L N 3.620 124.889 121.223 0.077 0.000 2.370 159 L HA 0.506 4.846 4.340 -0.000 0.000 0.266 159 L C -0.307 176.702 176.870 0.232 0.000 1.002 159 L CA -1.289 53.678 54.840 0.213 0.000 0.818 159 L CB 1.773 43.944 42.059 0.186 0.000 1.325 159 L HN 0.241 nan 8.230 nan 0.000 0.418 160 Y N 2.474 122.852 120.300 0.130 0.000 2.361 160 Y HA 0.691 5.241 4.550 -0.000 0.000 0.332 160 Y C 0.200 176.161 175.900 0.102 0.000 1.101 160 Y CA -0.366 57.784 58.100 0.083 0.000 1.137 160 Y CB 1.588 40.063 38.460 0.026 0.000 1.207 160 Y HN 0.763 nan 8.280 nan 0.000 0.463 161 M N 0.864 120.269 119.600 -0.326 0.000 1.457 161 M HA 0.313 4.793 4.480 -0.000 0.000 0.568 161 M C 0.700 176.818 176.300 -0.305 0.000 2.224 161 M CA -0.365 54.832 55.300 -0.173 0.000 0.527 161 M CB 0.390 32.993 32.600 0.006 0.000 4.342 161 M HN 0.296 nan 8.290 nan 0.000 0.719 162 E N 1.018 121.122 120.200 -0.159 0.000 2.049 162 E HA 0.011 4.361 4.350 -0.000 0.000 0.198 162 E C -0.166 176.332 176.600 -0.170 0.000 1.007 162 E CA 2.987 59.312 56.400 -0.125 0.000 0.809 162 E CB -0.179 29.485 29.700 -0.061 0.000 0.749 162 E HN 1.101 nan 8.360 nan 0.000 0.450 163 Y N -3.948 116.230 120.300 -0.203 0.000 2.717 163 Y HA 0.310 4.860 4.550 -0.000 0.000 0.066 163 Y C 0.070 175.773 175.900 -0.327 0.000 2.044 163 Y CA -0.449 57.537 58.100 -0.190 0.000 1.294 163 Y CB -1.557 36.837 38.460 -0.110 0.000 1.959 163 Y HN 0.554 nan 8.280 nan 0.000 0.271 164 A N 1.013 123.724 122.820 -0.181 0.000 1.687 164 A HA 0.543 4.863 4.320 -0.000 0.000 0.158 164 A C 1.386 178.962 177.584 -0.013 0.000 1.516 164 A CA 1.669 53.627 52.037 -0.133 0.000 1.427 164 A CB -0.363 18.577 19.000 -0.100 0.000 1.263 164 A HN 2.521 nan 8.150 nan 0.000 0.837 165 E N -0.051 120.150 120.200 0.003 0.000 5.171 165 E HA -0.268 4.082 4.350 -0.000 0.000 0.184 165 E C 0.366 177.002 176.600 0.059 0.000 1.101 165 E CA 1.189 57.605 56.400 0.028 0.000 2.026 165 E CB -2.251 27.462 29.700 0.022 0.000 1.810 165 E HN 1.137 nan 8.360 nan 0.000 0.414 166 I N -0.859 119.763 120.570 0.087 0.000 3.285 166 I HA -0.165 4.005 4.170 -0.000 0.000 0.334 166 I C 1.630 177.826 176.117 0.132 0.000 1.153 166 I CA 1.117 62.501 61.300 0.140 0.000 1.480 166 I CB 0.004 38.124 38.000 0.199 0.000 1.268 166 I HN 0.228 nan 8.210 nan 0.000 0.536 167 G N 3.551 112.446 108.800 0.158 0.000 2.658 167 G HA2 0.071 4.031 3.960 -0.000 0.000 0.217 167 G HA3 0.071 4.031 3.960 -0.000 0.000 0.217 167 G C 0.565 175.610 174.900 0.243 0.000 1.319 167 G CA 0.858 46.127 45.100 0.282 0.000 0.885 167 G HN 0.816 nan 8.290 nan 0.000 0.553 168 T N -0.469 114.214 114.554 0.215 0.000 2.862 168 T HA 0.508 4.858 4.350 -0.000 0.000 0.276 168 T C 0.250 175.085 174.700 0.226 0.000 0.974 168 T CA -0.673 61.533 62.100 0.177 0.000 0.966 168 T CB 1.195 70.124 68.868 0.102 0.000 1.072 168 T HN 0.299 nan 8.240 nan 0.000 0.538 169 R N 1.133 121.653 120.500 0.034 0.000 2.594 169 R HA 0.465 4.805 4.340 -0.000 0.000 0.272 169 R C -0.772 175.539 176.300 0.019 0.000 1.074 169 R CA -0.005 56.007 56.100 -0.147 0.000 1.105 169 R CB -0.184 29.966 30.300 -0.250 0.000 1.008 169 R HN 0.522 nan 8.270 nan 0.000 0.472 170 F N -0.451 119.568 119.950 0.115 0.000 2.620 170 F HA 0.517 5.044 4.527 -0.000 0.000 0.320 170 F C -0.718 175.142 175.800 0.100 0.000 1.069 170 F CA -1.638 56.417 58.000 0.092 0.000 0.953 170 F CB 0.750 39.806 39.000 0.093 0.000 1.322 170 F HN 0.314 nan 8.300 nan 0.000 0.479 171 D N 1.354 121.967 120.400 0.355 0.000 2.400 171 D HA 0.254 4.894 4.640 -0.000 0.000 0.238 171 D C -0.715 175.889 176.300 0.506 0.000 1.157 171 D CA 0.732 54.909 54.000 0.295 0.000 0.889 171 D CB 0.920 41.857 40.800 0.227 0.000 1.199 171 D HN 0.585 nan 8.370 nan 0.000 0.436 172 D N -0.180 120.416 120.400 0.327 0.000 2.759 172 D HA 0.418 5.058 4.640 -0.000 0.000 0.321 172 D C -1.243 175.120 176.300 0.106 0.000 1.267 172 D CA -0.419 53.775 54.000 0.323 0.000 0.933 172 D CB 1.559 42.565 40.800 0.343 0.000 1.431 172 D HN 0.255 nan 8.370 nan 0.000 0.504 173 E N -0.039 120.158 120.200 -0.005 0.000 2.366 173 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 173 E C -2.486 174.076 176.600 -0.064 0.000 0.923 173 E CA -1.776 54.586 56.400 -0.063 0.000 0.761 173 E CB 2.902 32.515 29.700 -0.145 0.000 1.231 173 E HN 0.074 nan 8.360 nan 0.000 0.443 174 P HA 0.016 nan 4.420 nan 0.000 0.266 174 P C -0.795 176.475 177.300 -0.049 0.000 1.195 174 P CA 0.049 63.127 63.100 -0.037 0.000 0.768 174 P CB 0.777 32.460 31.700 -0.028 0.000 0.838 175 T N -0.124 114.408 114.554 -0.037 0.000 2.804 175 T HA 0.243 4.593 4.350 -0.000 0.000 0.290 175 T C -0.540 174.151 174.700 -0.015 0.000 1.099 175 T CA -0.893 61.187 62.100 -0.034 0.000 1.011 175 T CB 0.537 69.385 68.868 -0.034 0.000 1.291 175 T HN 0.292 nan 8.240 nan 0.000 0.523 176 D N 2.541 122.938 120.400 -0.005 0.000 2.703 176 D HA -0.040 4.600 4.640 -0.000 0.000 0.225 176 D C 0.875 177.185 176.300 0.016 0.000 1.119 176 D CA 0.753 54.760 54.000 0.012 0.000 0.845 176 D CB 0.596 41.415 40.800 0.032 0.000 1.182 176 D HN 0.658 nan 8.370 nan 0.000 0.493 177 E N 1.890 122.099 120.200 0.016 0.000 2.485 177 E HA -0.134 4.216 4.350 -0.000 0.000 0.266 177 E C 0.934 177.550 176.600 0.027 0.000 1.090 177 E CA -0.229 56.180 56.400 0.016 0.000 0.987 177 E CB 0.973 30.683 29.700 0.017 0.000 0.974 177 E HN 0.386 nan 8.360 nan 0.000 0.455 178 K N 1.364 121.777 120.400 0.022 0.000 1.977 178 K HA -0.284 4.036 4.320 -0.000 0.000 0.231 178 K C 2.056 178.695 176.600 0.064 0.000 1.040 178 K CA 2.353 58.662 56.287 0.036 0.000 1.029 178 K CB -0.427 32.094 32.500 0.035 0.000 0.737 178 K HN 0.675 nan 8.250 nan 0.000 0.446 179 L N 0.612 121.875 121.223 0.066 0.000 2.021 179 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 179 L C 2.606 179.501 176.870 0.041 0.000 1.074 179 L CA 1.634 56.517 54.840 0.071 0.000 0.760 179 L CB -0.656 41.455 42.059 0.087 0.000 0.889 179 L HN 0.391 nan 8.230 nan 0.000 0.433 180 V N -1.068 118.871 119.914 0.042 0.000 2.255 180 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 180 V C 2.406 178.515 176.094 0.025 0.000 1.051 180 V CA 2.494 64.814 62.300 0.034 0.000 1.018 180 V CB -0.120 31.748 31.823 0.075 0.000 0.641 180 V HN 0.468 nan 8.190 nan 0.000 0.445 181 S N -0.142 115.595 115.700 0.062 0.000 2.528 181 S HA -0.162 4.308 4.470 -0.000 0.000 0.244 181 S C 1.560 176.254 174.600 0.157 0.000 0.982 181 S CA 1.920 60.179 58.200 0.099 0.000 0.953 181 S CB -0.494 62.763 63.200 0.094 0.000 0.754 181 S HN 0.789 nan 8.310 nan 0.000 0.529 182 M N 1.065 120.702 119.600 0.062 0.000 2.095 182 M HA 0.003 4.483 4.480 -0.000 0.000 0.257 182 M C 1.793 177.875 176.300 -0.364 0.000 1.089 182 M CA 1.411 56.666 55.300 -0.075 0.000 1.138 182 M CB -0.468 32.121 32.600 -0.018 0.000 1.303 182 M HN 0.189 nan 8.290 nan 0.000 0.422 183 L N 1.136 122.176 121.223 -0.305 0.000 2.058 183 L HA -0.384 3.956 4.340 -0.000 0.000 0.226 183 L C 2.236 178.904 176.870 -0.336 0.000 1.089 183 L CA 2.007 56.575 54.840 -0.454 0.000 0.799 183 L CB -1.256 40.348 42.059 -0.759 0.000 0.900 183 L HN 0.456 nan 8.230 nan 0.000 0.442 184 D N -1.224 119.094 120.400 -0.137 0.000 2.133 184 D HA -0.246 4.394 4.640 -0.000 0.000 0.192 184 D C 1.915 178.199 176.300 -0.025 0.000 1.001 184 D CA 2.220 56.236 54.000 0.027 0.000 0.844 184 D CB -0.222 40.629 40.800 0.085 0.000 0.944 184 D HN 0.667 nan 8.370 nan 0.000 0.447 185 Y N -0.947 119.356 120.300 0.004 0.000 2.476 185 Y HA 0.210 4.760 4.550 -0.000 0.000 0.283 185 Y C 2.075 178.211 175.900 0.393 0.000 1.109 185 Y CA -0.133 58.071 58.100 0.172 0.000 1.246 185 Y CB -0.484 38.077 38.460 0.169 0.000 1.068 185 Y HN -0.149 nan 8.280 nan 0.000 0.552 186 I N 0.977 121.363 120.570 -0.306 0.000 2.286 186 I HA -0.051 4.119 4.170 -0.000 0.000 0.245 186 I C 0.367 176.570 176.117 0.144 0.000 1.104 186 I CA 0.614 61.892 61.300 -0.037 0.000 1.397 186 I CB 0.012 37.891 38.000 -0.203 0.000 1.072 186 I HN 0.025 nan 8.210 nan 0.000 0.417 187 V N 2.279 122.213 119.914 0.034 0.000 2.352 187 V HA 0.003 4.123 4.120 -0.000 0.000 0.253 187 V C 0.354 176.520 176.094 0.121 0.000 1.083 187 V CA 0.180 62.519 62.300 0.065 0.000 0.993 187 V CB -0.609 31.265 31.823 0.085 0.000 1.111 187 V HN 0.428 nan 8.190 nan 0.000 0.490 188 Y N 4.076 124.302 120.300 -0.122 0.000 2.701 188 Y HA 0.121 4.671 4.550 -0.000 0.000 0.275 188 Y C 2.033 177.879 175.900 -0.091 0.000 1.133 188 Y CA 0.956 58.958 58.100 -0.164 0.000 1.241 188 Y CB 0.875 38.954 38.460 -0.635 0.000 1.389 188 Y HN 0.560 nan 8.280 nan 0.000 0.486 189 S N 0.032 115.655 115.700 -0.128 0.000 2.817 189 S HA 0.531 5.001 4.470 -0.000 0.000 0.262 189 S C 0.501 175.114 174.600 0.021 0.000 1.051 189 S CA 0.037 58.148 58.200 -0.149 0.000 1.185 189 S CB -0.244 63.010 63.200 0.089 0.000 1.152 189 S HN 0.430 nan 8.310 nan 0.000 0.653 190 A N 1.878 124.698 122.820 -0.001 0.000 2.488 190 A HA 0.421 4.741 4.320 -0.000 0.000 0.249 190 A C 0.879 178.388 177.584 -0.124 0.000 1.083 190 A CA -0.153 51.855 52.037 -0.049 0.000 0.768 190 A CB 0.115 19.053 19.000 -0.103 0.000 1.017 190 A HN 0.562 nan 8.150 nan 0.000 0.496 191 E N 0.907 121.050 120.200 -0.095 0.000 2.318 191 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 191 E C 0.408 176.856 176.600 -0.253 0.000 0.998 191 E CA 0.571 56.892 56.400 -0.133 0.000 0.859 191 E CB 0.373 30.052 29.700 -0.035 0.000 0.812 191 E HN 0.829 nan 8.360 nan 0.000 0.492 192 E N 0.465 120.484 120.200 -0.302 0.000 2.293 192 E HA 0.410 4.760 4.350 -0.000 0.000 0.270 192 E C -1.715 174.580 176.600 -0.508 0.000 0.879 192 E CA -0.667 55.499 56.400 -0.390 0.000 0.756 192 E CB 2.214 31.745 29.700 -0.282 0.000 1.208 192 E HN -0.197 nan 8.360 nan 0.000 0.428 193 V N 4.674 124.207 119.914 -0.635 0.000 2.532 193 V HA 0.237 4.357 4.120 -0.000 0.000 0.294 193 V C -1.195 174.704 176.094 -0.324 0.000 1.036 193 V CA -0.729 61.254 62.300 -0.528 0.000 0.876 193 V CB 1.619 32.937 31.823 -0.841 0.000 1.012 193 V HN 0.729 nan 8.190 nan 0.000 0.432 194 H N 4.963 124.132 119.070 0.164 0.000 2.594 194 H HA 0.323 4.879 4.556 -0.000 0.000 0.304 194 H C -1.283 174.224 175.328 0.298 0.000 1.068 194 H CA -0.283 56.017 56.048 0.419 0.000 1.308 194 H CB 1.456 31.567 29.762 0.581 0.000 1.409 194 H HN 0.564 nan 8.280 nan 0.000 0.460 195 Y N 5.383 125.879 120.300 0.327 0.000 2.356 195 Y HA 0.197 4.747 4.550 -0.000 0.000 0.334 195 Y C -0.709 175.306 175.900 0.192 0.000 0.958 195 Y CA -1.736 56.465 58.100 0.168 0.000 1.196 195 Y CB 0.362 38.946 38.460 0.206 0.000 1.137 195 Y HN 0.416 nan 8.280 nan 0.000 0.485 196 I N 4.178 124.936 120.570 0.313 0.000 2.321 196 I HA 0.547 4.717 4.170 -0.000 0.000 0.291 196 I C 0.750 176.789 176.117 -0.130 0.000 0.998 196 I CA -0.751 60.565 61.300 0.025 0.000 1.227 196 I CB 0.646 38.507 38.000 -0.231 0.000 1.368 196 I HN 0.821 nan 8.210 nan 0.000 0.466 197 G N 4.680 113.377 108.800 -0.171 0.000 2.828 197 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.262 197 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.262 197 G C 0.248 174.928 174.900 -0.366 0.000 1.033 197 G CA -0.166 44.798 45.100 -0.227 0.000 1.248 197 G HN 1.155 nan 8.290 nan 0.000 0.551 198 C N 1.269 120.297 119.300 -0.452 0.000 3.336 198 C HA 0.757 5.217 4.460 -0.000 0.000 0.291 198 C C 2.187 176.968 174.990 -0.348 0.000 1.363 198 C CA 0.590 59.175 59.018 -0.721 0.000 1.737 198 C CB -0.547 26.661 27.740 -0.887 0.000 2.274 198 C HN 2.684 nan 8.230 nan 0.000 0.663 199 G N 2.957 111.630 108.800 -0.211 0.000 2.536 199 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.280 199 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.280 199 G C 0.454 175.294 174.900 -0.101 0.000 1.152 199 G CA 1.293 46.317 45.100 -0.127 0.000 0.970 199 G HN 0.689 nan 8.290 nan 0.000 0.549 200 D N 0.582 120.933 120.400 -0.081 0.000 2.305 200 D HA 0.279 4.919 4.640 -0.000 0.000 0.206 200 D C 1.969 178.222 176.300 -0.079 0.000 0.974 200 D CA 1.312 55.272 54.000 -0.067 0.000 0.871 200 D CB 0.185 40.957 40.800 -0.047 0.000 0.947 200 D HN 1.411 nan 8.370 nan 0.000 0.516 201 L N -1.372 119.796 121.223 -0.092 0.000 3.558 201 L HA -0.268 4.072 4.340 -0.000 0.000 0.422 201 L C 1.911 178.737 176.870 -0.072 0.000 0.740 201 L CA 0.779 55.559 54.840 -0.100 0.000 2.578 201 L CB -1.343 40.650 42.059 -0.109 0.000 1.116 201 L HN 0.114 nan 8.230 nan 0.000 0.626 202 R N 0.997 121.462 120.500 -0.057 0.000 2.134 202 R HA -0.243 4.097 4.340 -0.000 0.000 0.248 202 R C 1.598 177.880 176.300 -0.030 0.000 1.143 202 R CA 2.609 58.681 56.100 -0.047 0.000 0.957 202 R CB -0.413 29.866 30.300 -0.036 0.000 0.867 202 R HN 0.529 nan 8.270 nan 0.000 0.441 203 T N 2.029 116.577 114.554 -0.010 0.000 2.238 203 T HA -0.298 4.052 4.350 -0.000 0.000 0.209 203 T C 1.751 176.469 174.700 0.030 0.000 1.608 203 T CA 2.001 64.116 62.100 0.025 0.000 1.140 203 T CB -0.777 68.125 68.868 0.056 0.000 0.854 203 T HN 0.366 nan 8.240 nan 0.000 0.402 204 L N 0.091 121.325 121.223 0.019 0.000 2.127 204 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 204 L C 2.373 179.209 176.870 -0.058 0.000 1.089 204 L CA 1.653 56.489 54.840 -0.006 0.000 0.757 204 L CB -0.494 41.527 42.059 -0.063 0.000 0.899 204 L HN 0.247 nan 8.230 nan 0.000 0.434 205 M N -1.438 118.101 119.600 -0.102 0.000 2.156 205 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 205 M C 2.200 178.393 176.300 -0.179 0.000 1.067 205 M CA 1.371 56.559 55.300 -0.187 0.000 1.131 205 M CB -1.071 31.439 32.600 -0.150 0.000 1.368 205 M HN 0.322 nan 8.290 nan 0.000 0.416 206 Q N -0.865 118.886 119.800 -0.082 0.000 2.170 206 Q HA -0.133 4.207 4.340 -0.000 0.000 0.203 206 Q C 1.980 177.961 176.000 -0.033 0.000 0.976 206 Q CA 1.160 56.926 55.803 -0.061 0.000 0.858 206 Q CB -0.679 28.049 28.738 -0.018 0.000 0.907 206 Q HN 0.456 nan 8.270 nan 0.000 0.433 207 F N 2.041 121.900 119.950 -0.152 0.000 2.126 207 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 207 F C 2.313 178.000 175.800 -0.188 0.000 1.096 207 F CA 1.722 59.650 58.000 -0.120 0.000 1.255 207 F CB -0.134 38.824 39.000 -0.070 0.000 0.997 207 F HN -0.028 nan 8.300 nan 0.000 0.479 208 K N 0.505 120.634 120.400 -0.451 0.000 1.973 208 K HA -0.202 4.118 4.320 -0.000 0.000 0.210 208 K C 2.277 178.594 176.600 -0.473 0.000 1.045 208 K CA 1.466 57.287 56.287 -0.776 0.000 0.937 208 K CB -0.423 31.272 32.500 -1.341 0.000 0.721 208 K HN 0.098 nan 8.250 nan 0.000 0.438 209 K N 0.254 120.447 120.400 -0.346 0.000 2.442 209 K HA -0.140 4.180 4.320 -0.000 0.000 0.200 209 K C 1.980 178.466 176.600 -0.191 0.000 1.045 209 K CA 1.009 57.158 56.287 -0.230 0.000 0.937 209 K CB 0.143 32.541 32.500 -0.171 0.000 0.757 209 K HN 0.180 nan 8.250 nan 0.000 0.474 210 R N -0.968 119.401 120.500 -0.218 0.000 2.164 210 R HA 0.044 4.384 4.340 -0.000 0.000 0.198 210 R C 0.467 176.635 176.300 -0.219 0.000 1.028 210 R CA 0.841 56.837 56.100 -0.174 0.000 1.083 210 R CB 0.706 30.946 30.300 -0.101 0.000 1.026 210 R HN 0.030 nan 8.270 nan 0.000 0.514 211 S N 0.033 115.511 115.700 -0.371 0.000 2.407 211 S HA 0.284 4.754 4.470 -0.000 0.000 0.166 211 S C -2.432 171.940 174.600 -0.381 0.000 1.445 211 S CA -1.033 56.948 58.200 -0.365 0.000 1.260 211 S CB 1.497 64.477 63.200 -0.367 0.000 1.401 211 S HN -0.073 nan 8.310 nan 0.000 0.379 212 P HA 0.007 nan 4.420 nan 0.000 0.218 212 P C 1.862 179.153 177.300 -0.015 0.000 1.149 212 P CA 1.350 64.353 63.100 -0.162 0.000 0.817 212 P CB -0.204 31.414 31.700 -0.136 0.000 0.785 213 G N 1.541 110.312 108.800 -0.049 0.000 2.484 213 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.215 213 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.215 213 G C 1.539 176.448 174.900 0.015 0.000 1.219 213 G CA 1.072 46.162 45.100 -0.016 0.000 0.791 213 G HN 0.352 nan 8.290 nan 0.000 0.550 214 R N -0.562 119.935 120.500 -0.004 0.000 2.237 214 R HA 0.142 4.482 4.340 -0.000 0.000 0.219 214 R C 2.202 178.627 176.300 0.209 0.000 1.080 214 R CA 1.136 57.268 56.100 0.054 0.000 0.995 214 R CB -0.659 29.676 30.300 0.059 0.000 0.875 214 R HN 0.386 nan 8.270 nan 0.000 0.462 215 F N 1.757 121.721 119.950 0.023 0.000 2.113 215 F HA 0.024 4.551 4.527 -0.000 0.000 0.297 215 F C 2.360 178.329 175.800 0.281 0.000 1.103 215 F CA 1.228 59.350 58.000 0.203 0.000 1.248 215 F CB 0.005 38.916 39.000 -0.147 0.000 0.999 215 F HN -0.160 nan 8.300 nan 0.000 0.475 216 R N 0.193 120.794 120.500 0.169 0.000 2.119 216 R HA 0.058 4.398 4.340 -0.000 0.000 0.222 216 R C 0.754 177.044 176.300 -0.015 0.000 1.088 216 R CA 0.563 56.701 56.100 0.062 0.000 0.984 216 R CB -0.036 30.353 30.300 0.147 0.000 0.884 216 R HN 0.228 nan 8.270 nan 0.000 0.447 217 R N 0.629 121.123 120.500 -0.010 0.000 4.680 217 R HA 0.205 4.545 4.340 -0.000 0.000 0.222 217 R C -1.062 175.183 176.300 -0.091 0.000 1.803 217 R CA -0.066 56.001 56.100 -0.055 0.000 1.560 217 R CB 0.542 30.800 30.300 -0.070 0.000 1.412 217 R HN -0.094 nan 8.270 nan 0.000 0.815 218 V N 1.396 121.240 119.914 -0.118 0.000 2.969 218 V HA 0.206 4.326 4.120 -0.000 0.000 0.304 218 V C -1.338 174.527 176.094 -0.383 0.000 1.192 218 V CA -1.060 61.047 62.300 -0.322 0.000 0.962 218 V CB 2.642 34.158 31.823 -0.512 0.000 1.045 218 V HN 0.169 nan 8.190 nan 0.000 0.428 219 L N 3.678 124.622 121.223 -0.464 0.000 2.309 219 L HA 0.729 5.069 4.340 -0.000 0.000 0.282 219 L C -1.634 174.944 176.870 -0.487 0.000 1.036 219 L CA -0.517 54.137 54.840 -0.309 0.000 0.806 219 L CB 1.381 43.340 42.059 -0.166 0.000 1.220 219 L HN 0.711 nan 8.230 nan 0.000 0.429 220 W N 4.742 125.893 121.300 -0.248 0.000 2.463 220 W HA 0.425 5.085 4.660 -0.000 0.000 0.316 220 W C -0.303 176.020 176.519 -0.327 0.000 1.004 220 W CA -0.393 56.819 57.345 -0.223 0.000 1.309 220 W CB 0.783 30.131 29.460 -0.185 0.000 1.288 220 W HN 0.402 nan 8.180 nan 0.000 0.423 221 H N 2.820 121.804 119.070 -0.145 0.000 2.517 221 H HA 0.478 5.034 4.556 -0.000 0.000 0.317 221 H C -0.279 174.956 175.328 -0.155 0.000 1.080 221 H CA -0.436 55.427 56.048 -0.308 0.000 1.301 221 H CB 2.058 31.730 29.762 -0.150 0.000 1.425 221 H HN 0.276 nan 8.280 nan 0.000 0.471 222 V N 2.292 122.022 119.914 -0.307 0.000 2.380 222 V HA 0.333 4.453 4.120 -0.000 0.000 0.286 222 V C -1.247 174.730 176.094 -0.196 0.000 1.015 222 V CA -0.952 61.294 62.300 -0.090 0.000 0.834 222 V CB 0.428 32.199 31.823 -0.086 0.000 1.009 222 V HN 0.427 nan 8.190 nan 0.000 0.428 223 Y N 3.444 123.770 120.300 0.044 0.000 2.341 223 Y HA 0.832 5.382 4.550 -0.000 0.000 0.340 223 Y C 0.320 176.204 175.900 -0.028 0.000 0.997 223 Y CA -0.527 57.622 58.100 0.082 0.000 1.149 223 Y CB 1.213 39.769 38.460 0.161 0.000 1.171 223 Y HN 0.832 nan 8.280 nan 0.000 0.494 224 D N 4.486 124.943 120.400 0.096 0.000 2.625 224 D HA 0.125 4.765 4.640 -0.000 0.000 0.203 224 D C -2.463 173.849 176.300 0.020 0.000 1.230 224 D CA -1.525 52.485 54.000 0.017 0.000 0.784 224 D CB 2.481 43.242 40.800 -0.065 0.000 1.936 224 D HN 0.101 nan 8.370 nan 0.000 0.522 225 P HA -0.148 nan 4.420 nan 0.000 0.219 225 P C 1.456 178.756 177.300 0.001 0.000 1.158 225 P CA 1.522 64.633 63.100 0.019 0.000 0.895 225 P CB -0.028 31.682 31.700 0.017 0.000 0.792 226 I N -5.231 115.329 120.570 -0.015 0.000 3.875 226 I HA 0.357 4.527 4.170 -0.000 0.000 0.329 226 I C 0.518 176.612 176.117 -0.038 0.000 1.295 226 I CA -0.376 60.910 61.300 -0.024 0.000 1.129 226 I CB -0.542 37.442 38.000 -0.027 0.000 1.008 226 I HN -0.250 nan 8.210 nan 0.000 0.413 227 A N 3.922 126.715 122.820 -0.045 0.000 2.450 227 A HA 0.524 4.844 4.320 -0.000 0.000 0.255 227 A C -1.966 175.588 177.584 -0.050 0.000 1.096 227 A CA -0.982 51.016 52.037 -0.064 0.000 0.778 227 A CB -0.409 18.542 19.000 -0.081 0.000 1.031 227 A HN 0.250 nan 8.150 nan 0.000 0.494 228 P HA 0.186 nan 4.420 nan 0.000 0.293 228 P C -0.307 176.966 177.300 -0.045 0.000 1.298 228 P CA -0.337 62.735 63.100 -0.046 0.000 0.757 228 P CB 0.442 32.113 31.700 -0.049 0.000 1.262 229 E N -1.557 118.620 120.200 -0.039 0.000 2.345 229 E HA 0.400 4.750 4.350 -0.000 0.000 0.259 229 E C -0.642 175.930 176.600 -0.047 0.000 1.117 229 E CA -0.432 55.945 56.400 -0.038 0.000 0.913 229 E CB 0.644 30.328 29.700 -0.028 0.000 1.057 229 E HN 0.309 nan 8.360 nan 0.000 0.432 230 C N 1.781 121.053 119.300 -0.046 0.000 2.599 230 C HA 0.132 4.592 4.460 -0.000 0.000 0.354 230 C C 1.565 176.534 174.990 -0.035 0.000 1.092 230 C CA -0.184 58.806 59.018 -0.046 0.000 1.280 230 C CB -0.008 27.698 27.740 -0.055 0.000 1.829 230 C HN 0.920 nan 8.230 nan 0.000 0.454 231 S N 2.792 118.474 115.700 -0.030 0.000 2.387 231 S HA -0.158 4.312 4.470 -0.000 0.000 0.230 231 S C 0.245 174.838 174.600 -0.012 0.000 1.035 231 S CA 1.271 59.457 58.200 -0.022 0.000 1.014 231 S CB -0.581 62.604 63.200 -0.025 0.000 0.836 231 S HN 0.887 nan 8.310 nan 0.000 0.466 232 D N 4.134 124.533 120.400 -0.002 0.000 2.472 232 D HA 0.210 4.850 4.640 -0.000 0.000 0.248 232 D C -2.043 174.268 176.300 0.018 0.000 1.174 232 D CA -0.994 53.027 54.000 0.035 0.000 0.883 232 D CB 0.859 41.722 40.800 0.106 0.000 1.149 232 D HN 0.262 nan 8.370 nan 0.000 0.488 233 P HA 0.056 nan 4.420 nan 0.000 0.256 233 P C -0.230 177.063 177.300 -0.013 0.000 1.384 233 P CA 0.064 63.161 63.100 -0.005 0.000 0.879 233 P CB 0.017 31.716 31.700 -0.000 0.000 1.403 234 N N -0.497 118.200 118.700 -0.004 0.000 2.338 234 N HA 0.080 4.820 4.740 -0.000 0.000 0.251 234 N C -0.840 174.671 175.510 0.001 0.000 1.199 234 N CA -0.352 52.689 53.050 -0.015 0.000 0.879 234 N CB 0.437 38.909 38.487 -0.025 0.000 1.159 234 N HN -0.164 nan 8.380 nan 0.000 0.514 235 V N 1.968 121.851 119.914 -0.052 0.000 2.467 235 V HA 0.343 4.463 4.120 -0.000 0.000 0.260 235 V C 0.052 176.024 176.094 -0.204 0.000 0.963 235 V CA -0.668 61.582 62.300 -0.083 0.000 0.856 235 V CB 0.723 32.519 31.823 -0.046 0.000 1.087 235 V HN 0.167 nan 8.190 nan 0.000 0.467 236 I N 2.717 123.049 120.570 -0.398 0.000 2.421 236 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 236 I C 0.086 175.803 176.117 -0.666 0.000 1.089 236 I CA -0.091 60.899 61.300 -0.516 0.000 1.354 236 I CB 1.111 38.716 38.000 -0.658 0.000 1.413 236 I HN 0.177 nan 8.210 nan 0.000 0.513 237 V N 7.104 126.804 119.914 -0.357 0.000 2.432 237 V HA 0.192 4.312 4.120 -0.000 0.000 0.275 237 V C -0.139 175.912 176.094 -0.072 0.000 1.043 237 V CA -0.394 61.744 62.300 -0.271 0.000 0.925 237 V CB 0.811 32.556 31.823 -0.130 0.000 0.985 237 V HN 0.511 nan 8.190 nan 0.000 0.466 238 H N 3.856 122.781 119.070 -0.242 0.000 2.511 238 H HA 0.388 4.944 4.556 -0.000 0.000 0.328 238 H C 0.329 175.625 175.328 -0.054 0.000 1.044 238 H CA -0.990 54.949 56.048 -0.181 0.000 1.212 238 H CB 0.992 30.544 29.762 -0.350 0.000 1.428 238 H HN 0.553 nan 8.280 nan 0.000 0.483 239 N N 1.863 120.630 118.700 0.112 0.000 2.280 239 N HA 0.102 4.842 4.740 -0.000 0.000 0.192 239 N C 0.054 175.619 175.510 0.093 0.000 1.109 239 N CA -0.071 53.024 53.050 0.075 0.000 0.855 239 N CB 0.503 39.016 38.487 0.043 0.000 0.974 239 N HN 0.414 nan 8.380 nan 0.000 0.482 240 I N 0.796 121.447 120.570 0.136 0.000 2.696 240 I HA 0.007 4.177 4.170 -0.000 0.000 0.284 240 I C 0.422 176.637 176.117 0.163 0.000 1.129 240 I CA 0.249 61.636 61.300 0.145 0.000 1.410 240 I CB 0.655 38.758 38.000 0.171 0.000 1.399 240 I HN 0.103 nan 8.210 nan 0.000 0.579 241 M N 5.605 125.277 119.600 0.120 0.000 2.444 241 M HA 0.454 4.934 4.480 -0.000 0.000 0.319 241 M C -1.385 174.984 176.300 0.115 0.000 1.183 241 M CA -0.713 54.646 55.300 0.099 0.000 1.032 241 M CB 1.498 34.138 32.600 0.067 0.000 1.569 241 M HN 0.208 nan 8.290 nan 0.000 0.468 242 V N 4.272 124.248 119.914 0.102 0.000 2.350 242 V HA 0.209 4.329 4.120 -0.000 0.000 0.285 242 V C -0.101 176.117 176.094 0.207 0.000 1.014 242 V CA -0.422 61.964 62.300 0.144 0.000 0.831 242 V CB 1.314 33.218 31.823 0.135 0.000 1.000 242 V HN 0.956 nan 8.190 nan 0.000 0.433 243 D N 2.166 122.665 120.400 0.165 0.000 2.449 243 D HA 0.135 4.775 4.640 -0.000 0.000 0.210 243 D C 0.790 177.158 176.300 0.114 0.000 1.094 243 D CA 0.310 54.403 54.000 0.155 0.000 0.846 243 D CB 0.958 41.822 40.800 0.106 0.000 1.003 243 D HN 0.477 nan 8.370 nan 0.000 0.504 244 S N -0.466 115.294 115.700 0.100 0.000 2.732 244 S HA 0.432 4.902 4.470 -0.000 0.000 0.293 244 S C 0.349 174.973 174.600 0.041 0.000 1.159 244 S CA -0.572 57.658 58.200 0.051 0.000 0.847 244 S CB 1.772 64.991 63.200 0.031 0.000 1.169 244 S HN 0.026 nan 8.310 nan 0.000 0.501 245 K N 0.598 120.994 120.400 -0.007 0.000 2.418 245 K HA 0.234 4.554 4.320 -0.000 0.000 0.195 245 K C 1.238 177.836 176.600 -0.003 0.000 1.035 245 K CA 0.420 56.690 56.287 -0.029 0.000 1.003 245 K CB -0.181 32.269 32.500 -0.083 0.000 0.793 245 K HN 0.426 nan 8.250 nan 0.000 0.494 246 K N 1.247 121.651 120.400 0.007 0.000 2.362 246 K HA -0.057 4.263 4.320 -0.000 0.000 0.200 246 K C 0.953 177.573 176.600 0.033 0.000 1.046 246 K CA 1.241 57.535 56.287 0.012 0.000 0.952 246 K CB 0.049 32.553 32.500 0.006 0.000 0.753 246 K HN 0.245 nan 8.250 nan 0.000 0.466 247 D N 0.575 121.011 120.400 0.060 0.000 2.277 247 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 247 D C 1.636 178.039 176.300 0.171 0.000 0.962 247 D CA 0.959 55.031 54.000 0.119 0.000 0.865 247 D CB 0.222 41.095 40.800 0.123 0.000 0.939 247 D HN 0.282 nan 8.370 nan 0.000 0.510 248 I N -0.172 120.438 120.570 0.066 0.000 3.339 248 I HA -0.083 4.087 4.170 -0.000 0.000 0.285 248 I C 1.929 178.082 176.117 0.060 0.000 1.201 248 I CA -0.093 61.232 61.300 0.042 0.000 1.434 248 I CB 0.329 38.283 38.000 -0.077 0.000 1.152 248 I HN -0.097 nan 8.210 nan 0.000 0.443 249 L N 2.252 123.511 121.223 0.060 0.000 1.994 249 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 249 L C 2.574 179.506 176.870 0.103 0.000 1.071 249 L CA 2.083 56.995 54.840 0.120 0.000 0.745 249 L CB -1.121 40.998 42.059 0.098 0.000 0.892 249 L HN 0.351 nan 8.230 nan 0.000 0.431 250 K N -1.224 119.158 120.400 -0.031 0.000 2.304 250 K HA -0.212 4.108 4.320 -0.000 0.000 0.204 250 K C 0.245 176.683 176.600 -0.270 0.000 1.044 250 K CA 1.504 57.677 56.287 -0.189 0.000 0.932 250 K CB -0.485 31.800 32.500 -0.358 0.000 0.735 250 K HN 0.421 nan 8.250 nan 0.000 0.468 251 H N 0.371 119.499 119.070 0.096 0.000 2.412 251 H HA 0.422 4.978 4.556 -0.000 0.000 0.239 251 H C -0.492 174.811 175.328 -0.043 0.000 1.388 251 H CA -0.174 55.904 56.048 0.051 0.000 1.148 251 H CB -0.073 29.738 29.762 0.081 0.000 1.637 251 H HN 0.161 nan 8.280 nan 0.000 0.542 252 M N 0.842 120.466 119.600 0.041 0.000 2.470 252 M HA 0.159 4.639 4.480 -0.000 0.000 0.285 252 M C -0.513 175.671 176.300 -0.194 0.000 1.213 252 M CA -0.839 54.370 55.300 -0.153 0.000 0.901 252 M CB 2.847 35.171 32.600 -0.460 0.000 1.718 252 M HN 0.000 nan 8.290 nan 0.000 0.469 253 N N 1.210 119.784 118.700 -0.210 0.000 2.527 253 N HA 0.350 5.090 4.740 -0.000 0.000 0.236 253 N C -0.529 174.852 175.510 -0.215 0.000 0.999 253 N CA -0.134 52.849 53.050 -0.111 0.000 0.935 253 N CB 0.335 38.803 38.487 -0.031 0.000 1.132 253 N HN 0.527 nan 8.380 nan 0.000 0.511 254 F N 2.015 121.978 119.950 0.021 0.000 2.367 254 F HA 0.084 4.611 4.527 -0.000 0.000 0.298 254 F C 1.773 177.571 175.800 -0.004 0.000 1.094 254 F CA 0.398 58.403 58.000 0.009 0.000 1.409 254 F CB 0.044 39.049 39.000 0.009 0.000 1.064 254 F HN 0.436 nan 8.300 nan 0.000 0.528 255 L N -0.358 120.947 121.223 0.138 0.000 2.450 255 L HA -0.129 4.211 4.340 -0.000 0.000 0.224 255 L C 0.767 177.649 176.870 0.020 0.000 1.149 255 L CA 1.171 56.053 54.840 0.070 0.000 0.816 255 L CB -0.489 41.602 42.059 0.053 0.000 0.932 255 L HN -0.013 nan 8.230 nan 0.000 0.449 256 K N 0.547 120.942 120.400 -0.009 0.000 2.507 256 K HA 0.248 4.568 4.320 -0.000 0.000 0.251 256 K C -0.562 175.984 176.600 -0.090 0.000 0.943 256 K CA -0.722 55.535 56.287 -0.050 0.000 0.794 256 K CB 1.529 34.000 32.500 -0.048 0.000 1.188 256 K HN -0.148 nan 8.250 nan 0.000 0.428 257 R N 4.109 124.529 120.500 -0.133 0.000 2.343 257 R HA 0.162 4.502 4.340 -0.000 0.000 0.326 257 R C -0.663 175.487 176.300 -0.249 0.000 1.055 257 R CA -0.130 55.838 56.100 -0.221 0.000 0.961 257 R CB 0.136 30.219 30.300 -0.361 0.000 0.978 257 R HN 0.423 nan 8.270 nan 0.000 0.443 258 V N 0.901 120.729 119.914 -0.144 0.000 3.040 258 V HA 0.451 4.571 4.120 -0.000 0.000 0.312 258 V C -0.724 175.382 176.094 0.020 0.000 1.115 258 V CA -1.069 61.195 62.300 -0.061 0.000 0.998 258 V CB 1.926 33.704 31.823 -0.076 0.000 1.042 258 V HN 0.840 nan 8.190 nan 0.000 0.433 259 E N 2.795 123.024 120.200 0.048 0.000 2.180 259 E HA 0.395 4.745 4.350 -0.000 0.000 0.283 259 E C -0.511 176.022 176.600 -0.111 0.000 1.061 259 E CA -0.546 55.844 56.400 -0.017 0.000 0.861 259 E CB 0.691 30.349 29.700 -0.070 0.000 1.056 259 E HN 0.692 nan 8.360 nan 0.000 0.407 260 R N 3.675 124.053 120.500 -0.203 0.000 2.532 260 R HA 0.463 4.803 4.340 -0.000 0.000 0.295 260 R C -0.822 175.225 176.300 -0.420 0.000 0.968 260 R CA -1.037 54.796 56.100 -0.445 0.000 0.916 260 R CB 1.340 31.156 30.300 -0.807 0.000 1.124 260 R HN 0.368 nan 8.270 nan 0.000 0.463 261 L N 2.807 123.842 121.223 -0.313 0.000 2.341 261 L HA 0.485 4.825 4.340 -0.000 0.000 0.278 261 L C -1.479 175.604 176.870 0.355 0.000 1.005 261 L CA -0.559 54.310 54.840 0.048 0.000 0.818 261 L CB 1.455 43.528 42.059 0.023 0.000 1.259 261 L HN 0.571 nan 8.230 nan 0.000 0.418 262 F N 6.415 126.705 119.950 0.566 0.000 2.375 262 F HA 0.629 5.156 4.527 -0.000 0.000 0.361 262 F C -0.827 175.164 175.800 0.318 0.000 1.117 262 F CA -0.518 57.830 58.000 0.581 0.000 1.037 262 F CB 0.699 39.946 39.000 0.411 0.000 1.192 262 F HN 0.314 nan 8.300 nan 0.000 0.452 263 I N 6.593 127.028 120.570 -0.225 0.000 2.382 263 I HA 0.184 4.354 4.170 -0.000 0.000 0.286 263 I C -1.315 174.631 176.117 -0.285 0.000 1.002 263 I CA -0.621 60.562 61.300 -0.195 0.000 1.135 263 I CB 1.276 39.076 38.000 -0.334 0.000 1.288 263 I HN 0.622 nan 8.210 nan 0.000 0.448 264 W N 7.999 129.143 121.300 -0.261 0.000 2.538 264 W HA 0.404 5.064 4.660 -0.000 0.000 0.322 264 W C -1.585 174.982 176.519 0.080 0.000 1.028 264 W CA -0.689 56.591 57.345 -0.109 0.000 1.228 264 W CB 1.766 31.264 29.460 0.063 0.000 1.356 264 W HN 0.532 nan 8.180 nan 0.000 0.452 265 D N 5.358 125.681 120.400 -0.128 0.000 2.472 265 D HA 0.389 5.029 4.640 -0.000 0.000 0.248 265 D C -1.973 174.225 176.300 -0.170 0.000 1.271 265 D CA -0.074 53.937 54.000 0.017 0.000 0.888 265 D CB 0.705 41.624 40.800 0.198 0.000 1.337 265 D HN -0.027 nan 8.370 nan 0.000 0.526 266 V N 2.012 121.788 119.914 -0.230 0.000 2.623 266 V HA 0.803 4.923 4.120 -0.000 0.000 0.304 266 V C -0.420 175.678 176.094 0.006 0.000 1.054 266 V CA -0.792 61.347 62.300 -0.269 0.000 0.882 266 V CB 1.697 33.070 31.823 -0.750 0.000 1.002 266 V HN 0.576 nan 8.190 nan 0.000 0.424 267 S N 1.992 117.697 115.700 0.008 0.000 2.537 267 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 267 S C -0.322 174.303 174.600 0.042 0.000 1.142 267 S CA -0.660 57.577 58.200 0.062 0.000 0.870 267 S CB 1.950 65.196 63.200 0.078 0.000 1.112 267 S HN 0.502 nan 8.310 nan 0.000 0.466 268 S N 1.322 117.059 115.700 0.061 0.000 3.164 268 S HA 0.582 5.052 4.470 -0.000 0.000 0.198 268 S C -0.484 174.141 174.600 0.041 0.000 1.108 268 S CA -0.363 57.867 58.200 0.050 0.000 1.501 268 S CB -0.187 63.052 63.200 0.065 0.000 0.788 268 S HN 0.868 nan 8.310 nan 0.000 0.552 278 W N 1.523 122.818 121.300 -0.008 0.000 3.165 278 W HA 0.682 5.342 4.660 -0.000 0.000 0.351 278 W C -0.378 176.135 176.519 -0.009 0.000 1.164 278 W CA -1.000 56.335 57.345 -0.016 0.000 1.074 278 W CB 0.897 30.339 29.460 -0.030 0.000 1.499 278 W HN 0.122 nan 8.180 nan 0.000 0.600 279 E N 1.180 121.656 120.200 0.460 0.000 3.303 279 E HA 0.086 4.436 4.350 -0.000 0.000 0.215 279 E C 1.088 177.750 176.600 0.103 0.000 1.181 279 E CA -0.117 56.450 56.400 0.279 0.000 0.998 279 E CB 1.076 30.871 29.700 0.158 0.000 1.312 279 E HN 0.467 nan 8.360 nan 0.000 0.412 280 T N -2.550 112.032 114.554 0.047 0.000 2.746 280 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 280 T C 1.920 176.717 174.700 0.162 0.000 1.039 280 T CA 1.872 63.954 62.100 -0.031 0.000 1.142 280 T CB -0.488 68.286 68.868 -0.157 0.000 0.866 280 T HN 0.291 nan 8.240 nan 0.000 0.444 281 T N 2.090 116.773 114.554 0.215 0.000 2.531 281 T HA -0.304 4.046 4.350 -0.000 0.000 0.261 281 T C 1.958 176.763 174.700 0.175 0.000 1.141 281 T CA 1.668 63.883 62.100 0.191 0.000 1.176 281 T CB -0.713 68.268 68.868 0.189 0.000 0.863 281 T HN 0.351 nan 8.240 nan 0.000 0.424 282 R N -0.321 120.277 120.500 0.163 0.000 2.196 282 R HA -0.181 4.159 4.340 -0.000 0.000 0.259 282 R C 2.212 178.629 176.300 0.195 0.000 1.154 282 R CA 2.101 58.294 56.100 0.155 0.000 0.976 282 R CB -0.598 29.768 30.300 0.111 0.000 0.888 282 R HN 0.388 nan 8.270 nan 0.000 0.453 283 F N 0.269 120.200 119.950 -0.033 0.000 2.025 283 F HA 0.011 4.538 4.527 -0.000 0.000 0.291 283 F C 2.133 177.908 175.800 -0.041 0.000 1.150 283 F CA 1.258 59.202 58.000 -0.094 0.000 1.166 283 F CB -0.975 37.930 39.000 -0.158 0.000 0.995 283 F HN -0.005 nan 8.300 nan 0.000 0.474 284 A N -0.499 122.323 122.820 0.004 0.000 2.292 284 A HA -0.145 4.175 4.320 -0.000 0.000 0.209 284 A C 1.925 179.502 177.584 -0.011 0.000 1.209 284 A CA 1.437 53.420 52.037 -0.090 0.000 0.746 284 A CB -0.993 18.001 19.000 -0.011 0.000 0.764 284 A HN 0.638 nan 8.150 nan 0.000 0.492 285 E N -0.249 119.994 120.200 0.073 0.000 2.045 285 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 285 E C 1.215 177.922 176.600 0.178 0.000 0.968 285 E CA 0.721 57.253 56.400 0.220 0.000 0.813 285 E CB 0.017 29.889 29.700 0.287 0.000 0.780 285 E HN 0.536 nan 8.360 nan 0.000 0.455 286 D N 0.685 121.148 120.400 0.105 0.000 2.116 286 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 286 D C 1.958 178.107 176.300 -0.253 0.000 0.998 286 D CA 0.893 54.889 54.000 -0.006 0.000 0.836 286 D CB -0.201 40.599 40.800 0.000 0.000 0.951 286 D HN -0.007 nan 8.370 nan 0.000 0.449 287 R N 0.460 120.768 120.500 -0.320 0.000 2.091 287 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 287 R C 2.413 178.504 176.300 -0.348 0.000 1.136 287 R CA 0.385 56.273 56.100 -0.352 0.000 0.959 287 R CB -1.350 28.704 30.300 -0.411 0.000 0.856 287 R HN 0.289 nan 8.270 nan 0.000 0.437 288 L N 0.341 121.355 121.223 -0.347 0.000 1.994 288 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 288 L C 2.177 178.533 176.870 -0.856 0.000 1.071 288 L CA 2.395 56.989 54.840 -0.410 0.000 0.745 288 L CB -1.294 40.642 42.059 -0.205 0.000 0.892 288 L HN 0.269 nan 8.230 nan 0.000 0.431 289 G N -0.780 107.024 108.800 -1.660 0.000 2.703 289 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.222 289 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.222 289 G C 1.369 175.719 174.900 -0.916 0.000 1.183 289 G CA 1.391 44.867 45.100 -2.707 0.000 0.775 289 G HN 0.596 nan 8.290 nan 0.000 0.615 290 E N 0.181 120.036 120.200 -0.576 0.000 2.023 290 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 290 E C 2.451 178.862 176.600 -0.316 0.000 1.003 290 E CA 1.187 57.395 56.400 -0.320 0.000 0.809 290 E CB -0.244 29.323 29.700 -0.222 0.000 0.755 290 E HN 0.598 nan 8.360 nan 0.000 0.449 291 E N 0.513 120.527 120.200 -0.311 0.000 2.086 291 E HA -0.243 4.107 4.350 -0.000 0.000 0.200 291 E C 2.099 178.550 176.600 -0.249 0.000 1.012 291 E CA 1.367 57.628 56.400 -0.231 0.000 0.812 291 E CB -0.163 29.408 29.700 -0.215 0.000 0.743 291 E HN 0.290 nan 8.360 nan 0.000 0.453 292 I N 0.483 120.838 120.570 -0.357 0.000 2.226 292 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 292 I C 2.560 178.319 176.117 -0.596 0.000 1.100 292 I CA 0.864 61.943 61.300 -0.369 0.000 1.374 292 I CB -0.514 37.333 38.000 -0.255 0.000 1.057 292 I HN 0.130 nan 8.210 nan 0.000 0.413 293 A N 0.658 122.944 122.820 -0.891 0.000 1.859 293 A HA -0.317 4.003 4.320 -0.000 0.000 0.217 293 A C 2.331 179.580 177.584 -0.558 0.000 1.198 293 A CA 1.880 53.285 52.037 -1.053 0.000 0.629 293 A CB -1.324 17.132 19.000 -0.907 0.000 0.830 293 A HN 0.487 nan 8.150 nan 0.000 0.446 294 Y N 0.774 120.809 120.300 -0.441 0.000 2.207 294 Y HA -0.238 4.312 4.550 -0.000 0.000 0.287 294 Y C 2.327 178.072 175.900 -0.258 0.000 1.156 294 Y CA 2.331 60.250 58.100 -0.302 0.000 1.182 294 Y CB -0.265 38.053 38.460 -0.237 0.000 0.979 294 Y HN 0.513 nan 8.280 nan 0.000 0.521 295 E N -0.703 119.389 120.200 -0.180 0.000 2.153 295 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 295 E C 1.596 178.045 176.600 -0.253 0.000 0.988 295 E CA 1.364 57.653 56.400 -0.185 0.000 0.811 295 E CB -0.175 29.440 29.700 -0.142 0.000 0.746 295 E HN 0.490 nan 8.360 nan 0.000 0.466 296 M N 0.177 119.568 119.600 -0.349 0.000 2.453 296 M HA 0.131 4.611 4.480 -0.000 0.000 0.239 296 M C 0.423 176.540 176.300 -0.305 0.000 1.151 296 M CA -0.257 54.847 55.300 -0.326 0.000 0.989 296 M CB 1.146 33.448 32.600 -0.497 0.000 1.548 296 M HN -0.068 nan 8.290 nan 0.000 0.479 297 G N -0.206 108.373 108.800 -0.367 0.000 2.307 297 G HA2 0.363 4.323 3.960 -0.000 0.000 0.271 297 G HA3 0.363 4.323 3.960 -0.000 0.000 0.271 297 G C 0.794 175.588 174.900 -0.177 0.000 1.191 297 G CA 0.547 45.463 45.100 -0.307 0.000 1.024 297 G HN 0.608 nan 8.290 nan 0.000 0.441 298 G N 0.913 109.683 108.800 -0.050 0.000 3.110 298 G HA2 0.174 4.134 3.960 -0.000 0.000 0.205 298 G HA3 0.174 4.134 3.960 -0.000 0.000 0.205 298 G C 0.883 175.853 174.900 0.116 0.000 1.019 298 G CA 0.883 45.992 45.100 0.015 0.000 0.826 298 G HN 1.467 nan 8.290 nan 0.000 0.481 299 A N -0.419 122.521 122.820 0.199 0.000 1.997 299 A HA 0.768 5.088 4.320 -0.000 0.000 0.198 299 A C 0.343 178.125 177.584 0.329 0.000 1.449 299 A CA 0.393 52.611 52.037 0.301 0.000 0.908 299 A CB 0.236 19.491 19.000 0.424 0.000 0.984 299 A HN 0.344 nan 8.150 nan 0.000 0.487 300 F N 1.084 121.038 119.950 0.007 0.000 2.379 300 F HA 0.372 4.899 4.527 -0.000 0.000 0.332 300 F C 1.812 177.608 175.800 -0.007 0.000 1.096 300 F CA -0.558 57.458 58.000 0.027 0.000 1.105 300 F CB 1.397 40.427 39.000 0.049 0.000 1.189 300 F HN 0.166 nan 8.300 nan 0.000 0.515 301 S N -0.565 115.230 115.700 0.158 0.000 2.478 301 S HA 0.148 4.618 4.470 -0.000 0.000 0.222 301 S C 0.251 174.920 174.600 0.114 0.000 1.008 301 S CA 0.486 58.733 58.200 0.078 0.000 0.928 301 S CB -0.374 62.843 63.200 0.028 0.000 0.781 301 S HN 0.528 nan 8.310 nan 0.000 0.518 302 S N -0.112 115.717 115.700 0.216 0.000 2.596 302 S HA 0.836 5.306 4.470 -0.000 0.000 0.270 302 S C -1.198 173.576 174.600 0.291 0.000 1.155 302 S CA -0.610 57.718 58.200 0.213 0.000 0.827 302 S CB 1.623 65.100 63.200 0.462 0.000 1.130 302 S HN 0.908 nan 8.310 nan 0.000 0.467 303 A N 0.967 123.885 122.820 0.164 0.000 2.442 303 A HA 0.699 5.019 4.320 -0.000 0.000 0.284 303 A C -1.496 176.285 177.584 0.329 0.000 1.058 303 A CA -0.457 51.758 52.037 0.296 0.000 0.738 303 A CB 1.070 20.163 19.000 0.155 0.000 1.242 303 A HN 0.780 nan 8.150 nan 0.000 0.421 304 L N 5.020 126.466 121.223 0.371 0.000 2.494 304 L HA 0.425 4.765 4.340 -0.000 0.000 0.251 304 L C -0.492 176.553 176.870 0.291 0.000 1.119 304 L CA -0.479 54.566 54.840 0.342 0.000 1.026 304 L CB -0.081 42.130 42.059 0.254 0.000 1.370 304 L HN 0.587 nan 8.230 nan 0.000 0.426 305 I N 2.430 123.187 120.570 0.312 0.000 2.474 305 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 305 I C 0.846 177.166 176.117 0.338 0.000 1.048 305 I CA -0.524 60.984 61.300 0.347 0.000 1.383 305 I CB 0.740 38.883 38.000 0.238 0.000 1.412 305 I HN 0.456 nan 8.210 nan 0.000 0.531 306 K N 5.833 126.483 120.400 0.417 0.000 2.380 306 K HA -0.002 4.318 4.320 -0.000 0.000 0.267 306 K C -0.341 176.486 176.600 0.379 0.000 0.990 306 K CA 0.220 56.731 56.287 0.373 0.000 0.946 306 K CB 0.506 33.227 32.500 0.370 0.000 0.937 306 K HN 0.712 nan 8.250 nan 0.000 0.491 307 H N 4.345 123.546 119.070 0.219 0.000 2.826 307 H HA 0.074 4.630 4.556 -0.000 0.000 0.255 307 H C -0.766 174.677 175.328 0.192 0.000 1.427 307 H CA -0.610 55.552 56.048 0.190 0.000 1.521 307 H CB 0.176 30.036 29.762 0.163 0.000 1.934 307 H HN 0.699 nan 8.280 nan 0.000 0.644 308 R N 3.109 123.648 120.500 0.065 0.000 2.590 308 R HA 0.234 4.574 4.340 -0.000 0.000 0.274 308 R C -0.207 176.032 176.300 -0.102 0.000 1.061 308 R CA -0.319 55.815 56.100 0.056 0.000 1.081 308 R CB 0.834 31.180 30.300 0.077 0.000 0.984 308 R HN 0.307 nan 8.270 nan 0.000 0.448 309 I N 3.980 124.555 120.570 0.007 0.000 2.301 309 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 309 I C -1.685 174.336 176.117 -0.161 0.000 1.046 309 I CA -2.360 58.925 61.300 -0.026 0.000 1.282 309 I CB 1.064 39.143 38.000 0.133 0.000 1.409 309 I HN 0.372 nan 8.210 nan 0.000 0.484 310 P HA 0.117 nan 4.420 nan 0.000 0.269 310 P C -0.249 176.881 177.300 -0.283 0.000 1.217 310 P CA -0.018 62.813 63.100 -0.449 0.000 0.783 310 P CB 1.022 32.217 31.700 -0.840 0.000 0.898 311 N N -0.320 118.232 118.700 -0.248 0.000 2.197 311 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 311 N C 1.416 176.819 175.510 -0.179 0.000 1.030 311 N CA 1.092 54.033 53.050 -0.182 0.000 0.851 311 N CB -0.189 38.218 38.487 -0.133 0.000 1.003 311 N HN 0.297 nan 8.380 nan 0.000 0.430 312 S N -0.324 115.243 115.700 -0.221 0.000 2.593 312 S HA 0.160 4.630 4.470 -0.000 0.000 0.217 312 S C 0.218 174.704 174.600 -0.190 0.000 0.966 312 S CA 0.479 58.561 58.200 -0.197 0.000 0.914 312 S CB 0.185 63.239 63.200 -0.245 0.000 0.776 312 S HN 0.164 nan 8.310 nan 0.000 0.523 313 K N 1.259 121.534 120.400 -0.208 0.000 2.292 313 K HA 0.311 4.631 4.320 -0.000 0.000 0.257 313 K C -0.247 176.327 176.600 -0.043 0.000 0.940 313 K CA -0.449 55.753 56.287 -0.142 0.000 0.811 313 K CB 1.328 33.696 32.500 -0.219 0.000 1.120 313 K HN -0.140 nan 8.250 nan 0.000 0.428 314 D N 2.216 122.605 120.400 -0.018 0.000 2.240 314 D HA -0.060 4.580 4.640 -0.000 0.000 0.206 314 D C -0.413 175.894 176.300 0.010 0.000 0.963 314 D CA 1.118 55.115 54.000 -0.005 0.000 0.863 314 D CB 0.645 41.435 40.800 -0.016 0.000 0.973 314 D HN 0.662 nan 8.370 nan 0.000 0.501 315 E N -0.377 119.837 120.200 0.024 0.000 2.354 315 E HA 0.394 4.744 4.350 -0.000 0.000 0.283 315 E C -1.269 175.335 176.600 0.007 0.000 0.938 315 E CA -0.957 55.417 56.400 -0.044 0.000 0.777 315 E CB 1.187 30.832 29.700 -0.091 0.000 1.222 315 E HN 0.022 nan 8.360 nan 0.000 0.423 316 Y N -0.900 119.335 120.300 -0.109 0.000 2.705 316 Y HA 0.664 5.214 4.550 -0.000 0.000 0.332 316 Y C -0.586 175.213 175.900 -0.168 0.000 1.157 316 Y CA -1.249 56.823 58.100 -0.046 0.000 1.091 316 Y CB 1.203 39.738 38.460 0.124 0.000 1.301 316 Y HN 0.529 nan 8.280 nan 0.000 0.488 317 H N -0.028 119.242 119.070 0.333 0.000 2.710 317 H HA 0.768 5.324 4.556 -0.000 0.000 0.361 317 H C -0.796 174.643 175.328 0.185 0.000 1.175 317 H CA -0.294 55.848 56.048 0.157 0.000 1.206 317 H CB 2.081 31.886 29.762 0.071 0.000 1.750 317 H HN 1.095 nan 8.280 nan 0.000 0.553 318 C N 0.066 119.494 119.300 0.213 0.000 3.197 318 C HA 0.487 4.947 4.460 -0.000 0.000 0.343 318 C C -1.100 173.891 174.990 0.002 0.000 1.291 318 C CA -1.094 57.977 59.018 0.088 0.000 1.191 318 C CB -0.465 27.380 27.740 0.175 0.000 1.444 318 C HN 0.673 nan 8.230 nan 0.000 0.468 319 I N 2.695 123.213 120.570 -0.087 0.000 2.353 319 I HA 0.734 4.904 4.170 -0.000 0.000 0.293 319 I C 0.467 176.531 176.117 -0.089 0.000 0.992 319 I CA 0.335 61.551 61.300 -0.140 0.000 1.268 319 I CB 1.469 39.301 38.000 -0.279 0.000 1.387 319 I HN 0.976 nan 8.210 nan 0.000 0.478 320 S N 2.865 118.514 115.700 -0.086 0.000 2.567 320 S HA 0.491 4.961 4.470 -0.000 0.000 0.270 320 S C 0.022 174.532 174.600 -0.150 0.000 1.152 320 S CA -0.455 57.682 58.200 -0.105 0.000 0.835 320 S CB 1.744 64.895 63.200 -0.083 0.000 1.115 320 S HN 0.623 nan 8.310 nan 0.000 0.459 321 T N 1.466 115.886 114.554 -0.224 0.000 3.044 321 T HA 0.358 4.708 4.350 -0.000 0.000 0.237 321 T C -0.646 173.767 174.700 -0.478 0.000 1.001 321 T CA 0.904 62.784 62.100 -0.367 0.000 1.160 321 T CB -0.202 68.401 68.868 -0.441 0.000 0.889 321 T HN 0.619 nan 8.240 nan 0.000 0.442 322 Y N -0.558 119.772 120.300 0.049 0.000 2.634 322 Y HA 0.697 5.247 4.550 -0.000 0.000 0.340 322 Y C -0.812 174.922 175.900 -0.277 0.000 1.058 322 Y CA -1.458 56.643 58.100 0.002 0.000 1.081 322 Y CB 1.704 40.274 38.460 0.183 0.000 1.295 322 Y HN -0.107 nan 8.280 nan 0.000 0.487 323 L N 2.772 123.939 121.223 -0.093 0.000 2.410 323 L HA 0.614 4.954 4.340 -0.000 0.000 0.270 323 L C -1.597 175.132 176.870 -0.234 0.000 0.983 323 L CA -0.702 53.950 54.840 -0.315 0.000 0.822 323 L CB 1.801 43.797 42.059 -0.104 0.000 1.285 323 L HN 0.612 nan 8.230 nan 0.000 0.409 324 F N 1.639 121.688 119.950 0.164 0.000 2.713 324 F HA 0.704 5.231 4.527 -0.000 0.000 0.311 324 F C -3.021 172.877 175.800 0.163 0.000 1.141 324 F CA -3.202 54.873 58.000 0.125 0.000 0.939 324 F CB 0.313 39.340 39.000 0.045 0.000 1.325 324 F HN 0.101 nan 8.300 nan 0.000 0.453 325 P HA 0.272 nan 4.420 nan 0.000 0.276 325 P C -1.419 176.116 177.300 0.391 0.000 1.230 325 P CA -0.215 63.166 63.100 0.469 0.000 0.776 325 P CB 0.811 32.764 31.700 0.422 0.000 0.888 326 Q N 4.165 124.205 119.800 0.401 0.000 2.257 326 Q HA 0.408 4.748 4.340 -0.000 0.000 0.255 326 Q C -2.328 173.653 176.000 -0.031 0.000 0.920 326 Q CA -2.210 53.709 55.803 0.192 0.000 0.927 326 Q CB 0.424 29.293 28.738 0.219 0.000 1.229 326 Q HN 0.334 nan 8.270 nan 0.000 0.433 327 P HA 0.037 nan 4.420 nan 0.000 0.271 327 P C 0.509 177.783 177.300 -0.044 0.000 1.216 327 P CA 0.424 63.511 63.100 -0.022 0.000 0.776 327 P CB 0.635 32.339 31.700 0.007 0.000 0.881 328 G N 1.114 109.877 108.800 -0.063 0.000 2.155 328 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.257 328 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.257 328 G C 0.387 175.236 174.900 -0.085 0.000 0.983 328 G CA 0.092 45.161 45.100 -0.052 0.000 0.676 328 G HN 0.851 nan 8.290 nan 0.000 0.528 329 A N 0.050 122.753 122.820 -0.194 0.000 2.327 329 A HA 0.590 4.910 4.320 -0.000 0.000 0.283 329 A C 0.374 177.851 177.584 -0.178 0.000 1.127 329 A CA -0.032 51.864 52.037 -0.236 0.000 0.810 329 A CB 0.430 19.119 19.000 -0.518 0.000 1.066 329 A HN 0.286 nan 8.150 nan 0.000 0.492 330 D N 1.234 121.600 120.400 -0.057 0.000 2.443 330 D HA 0.245 4.885 4.640 -0.000 0.000 0.234 330 D C 1.472 177.785 176.300 0.022 0.000 1.172 330 D CA 1.085 55.081 54.000 -0.007 0.000 0.878 330 D CB 0.628 41.441 40.800 0.023 0.000 1.204 330 D HN 0.582 nan 8.370 nan 0.000 0.453 331 A N 2.402 125.229 122.820 0.012 0.000 1.877 331 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 331 A C 1.551 179.090 177.584 -0.076 0.000 1.186 331 A CA 1.960 53.996 52.037 -0.001 0.000 0.620 331 A CB -0.538 18.459 19.000 -0.006 0.000 0.822 331 A HN 0.687 nan 8.150 nan 0.000 0.443 332 D N -0.752 119.635 120.400 -0.022 0.000 2.219 332 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 332 D C 1.073 177.366 176.300 -0.011 0.000 0.970 332 D CA 0.702 54.708 54.000 0.010 0.000 0.851 332 D CB -0.722 40.144 40.800 0.111 0.000 0.943 332 D HN 0.424 nan 8.370 nan 0.000 0.488 333 M N 0.966 120.586 119.600 0.034 0.000 2.504 333 M HA -0.034 4.446 4.480 -0.000 0.000 0.378 333 M C -1.190 175.140 176.300 0.050 0.000 1.706 333 M CA 0.411 55.784 55.300 0.120 0.000 1.036 333 M CB -0.270 32.427 32.600 0.161 0.000 2.129 333 M HN 0.016 nan 8.290 nan 0.000 0.474 334 Y N 4.421 124.794 120.300 0.122 0.000 2.793 334 Y HA 0.363 4.913 4.550 -0.000 0.000 0.374 334 Y C -0.124 175.831 175.900 0.091 0.000 1.135 334 Y CA -0.364 57.771 58.100 0.058 0.000 1.451 334 Y CB 0.245 38.721 38.460 0.026 0.000 1.541 334 Y HN 0.655 nan 8.280 nan 0.000 0.546 335 E N 2.309 122.657 120.200 0.248 0.000 2.302 335 E HA 0.402 4.752 4.350 -0.000 0.000 0.263 335 E C -1.751 175.045 176.600 0.326 0.000 0.897 335 E CA -0.530 56.035 56.400 0.276 0.000 0.809 335 E CB 1.013 30.866 29.700 0.255 0.000 1.270 335 E HN 0.430 nan 8.360 nan 0.000 0.410 336 L N 2.765 124.185 121.223 0.329 0.000 2.375 336 L HA 0.624 4.964 4.340 -0.000 0.000 0.268 336 L C 0.628 177.695 176.870 0.329 0.000 1.058 336 L CA -1.234 53.803 54.840 0.329 0.000 0.803 336 L CB 0.879 43.076 42.059 0.231 0.000 1.212 336 L HN 0.342 nan 8.230 nan 0.000 0.451 337 R N 1.385 122.083 120.500 0.332 0.000 2.457 337 R HA 0.259 4.599 4.340 -0.000 0.000 0.284 337 R C -0.646 175.681 176.300 0.045 0.000 1.024 337 R CA -0.395 55.880 56.100 0.292 0.000 1.025 337 R CB 1.037 31.600 30.300 0.438 0.000 1.063 337 R HN 0.738 nan 8.270 nan 0.000 0.493 338 N N 1.773 120.511 118.700 0.064 0.000 2.408 338 N HA 0.190 4.930 4.740 -0.000 0.000 0.280 338 N C -1.363 174.192 175.510 0.075 0.000 1.002 338 N CA -0.343 52.660 53.050 -0.078 0.000 0.907 338 N CB 0.803 39.264 38.487 -0.043 0.000 1.161 338 N HN 0.257 nan 8.380 nan 0.000 0.488 339 F N 4.570 124.426 119.950 -0.155 0.000 2.427 339 F HA 0.492 5.019 4.527 -0.000 0.000 0.346 339 F C -0.978 174.847 175.800 0.042 0.000 1.120 339 F CA -0.699 57.346 58.000 0.076 0.000 1.033 339 F CB 1.067 40.258 39.000 0.319 0.000 1.126 339 F HN 0.387 nan 8.300 nan 0.000 0.462 340 M N 7.381 126.457 119.600 -0.873 0.000 2.134 340 M HA 0.412 4.892 4.480 -0.000 0.000 0.310 340 M C -0.327 175.301 176.300 -1.120 0.000 0.966 340 M CA -0.612 54.233 55.300 -0.759 0.000 0.922 340 M CB 1.914 34.321 32.600 -0.322 0.000 1.537 340 M HN 0.545 nan 8.290 nan 0.000 0.424 341 R N 3.300 123.262 120.500 -0.897 0.000 2.500 341 R HA 0.818 5.158 4.340 -0.000 0.000 0.275 341 R C -1.625 174.539 176.300 -0.228 0.000 1.051 341 R CA -0.131 55.707 56.100 -0.437 0.000 1.088 341 R CB 0.797 31.049 30.300 -0.080 0.000 1.063 341 R HN 0.783 nan 8.270 nan 0.000 0.511 342 L N 2.526 123.674 121.223 -0.125 0.000 2.409 342 L HA 0.517 4.857 4.340 -0.000 0.000 0.255 342 L C -0.303 176.526 176.870 -0.068 0.000 1.027 342 L CA -1.308 53.469 54.840 -0.105 0.000 0.834 342 L CB 1.399 43.389 42.059 -0.116 0.000 1.426 342 L HN 0.624 nan 8.230 nan 0.000 0.411 343 R N 1.065 121.531 120.500 -0.058 0.000 2.491 343 R HA 0.735 5.075 4.340 -0.000 0.000 0.283 343 R C -0.301 175.992 176.300 -0.013 0.000 1.072 343 R CA 0.273 56.359 56.100 -0.022 0.000 1.048 343 R CB 0.435 30.736 30.300 0.001 0.000 0.983 343 R HN 0.829 nan 8.270 nan 0.000 0.450 344 G N 1.947 110.749 108.800 0.003 0.000 2.352 344 G HA2 0.039 3.999 3.960 -0.000 0.000 0.303 344 G HA3 0.039 3.999 3.960 -0.000 0.000 0.303 344 G C -1.832 173.082 174.900 0.024 0.000 1.593 344 G CA -0.975 44.156 45.100 0.051 0.000 0.963 344 G HN 0.588 nan 8.290 nan 0.000 0.685 345 Y N 1.090 121.367 120.300 -0.040 0.000 2.712 345 Y HA 0.448 4.998 4.550 -0.000 0.000 0.333 345 Y C 0.702 176.510 175.900 -0.153 0.000 1.225 345 Y CA 1.799 59.842 58.100 -0.094 0.000 1.499 345 Y CB 0.807 39.201 38.460 -0.111 0.000 1.288 345 Y HN 0.827 nan 8.280 nan 0.000 0.575 346 S N 4.479 119.430 115.700 -1.248 0.000 2.533 346 S HA 0.282 4.752 4.470 -0.000 0.000 0.271 346 S C -0.113 173.914 174.600 -0.955 0.000 1.143 346 S CA -0.847 56.853 58.200 -0.833 0.000 0.891 346 S CB 0.579 63.558 63.200 -0.368 0.000 1.105 346 S HN 0.833 nan 8.310 nan 0.000 0.468 347 H N 1.935 120.820 119.070 -0.308 0.000 2.502 347 H HA 0.195 4.751 4.556 -0.000 0.000 0.283 347 H C 0.428 175.714 175.328 -0.069 0.000 1.015 347 H CA 0.745 56.718 56.048 -0.125 0.000 1.298 347 H CB 0.235 30.001 29.762 0.006 0.000 1.411 347 H HN 0.171 nan 8.280 nan 0.000 0.556 348 V N 2.767 122.708 119.914 0.046 0.000 2.370 348 V HA 0.008 4.128 4.120 -0.000 0.000 0.283 348 V C -0.070 175.976 176.094 -0.079 0.000 1.023 348 V CA -0.940 61.366 62.300 0.011 0.000 0.857 348 V CB 1.968 33.843 31.823 0.087 0.000 0.985 348 V HN 0.149 nan 8.190 nan 0.000 0.443 349 D N 4.960 125.299 120.400 -0.102 0.000 2.346 349 D HA 0.129 4.769 4.640 -0.000 0.000 0.260 349 D C 0.939 177.186 176.300 -0.089 0.000 1.252 349 D CA 0.200 54.133 54.000 -0.112 0.000 0.895 349 D CB 0.623 41.395 40.800 -0.047 0.000 1.097 349 D HN 0.446 nan 8.370 nan 0.000 0.489 350 R N 2.734 123.166 120.500 -0.113 0.000 2.437 350 R HA 0.034 4.374 4.340 -0.000 0.000 0.257 350 R C 1.274 177.595 176.300 0.035 0.000 0.927 350 R CA -0.416 55.700 56.100 0.027 0.000 1.078 350 R CB 0.211 30.581 30.300 0.118 0.000 1.161 350 R HN 0.551 nan 8.270 nan 0.000 0.529 351 H N 1.386 120.468 119.070 0.019 0.000 2.400 351 H HA -0.166 4.390 4.556 -0.000 0.000 0.295 351 H C 2.013 177.335 175.328 -0.010 0.000 1.118 351 H CA 1.533 57.586 56.048 0.007 0.000 1.256 351 H CB 0.224 29.986 29.762 -0.001 0.000 1.365 351 H HN 0.058 nan 8.280 nan 0.000 0.502 352 M N 0.314 119.948 119.600 0.056 0.000 2.082 352 M HA -0.159 4.321 4.480 -0.000 0.000 0.258 352 M C 0.646 176.921 176.300 -0.040 0.000 1.069 352 M CA 1.202 56.472 55.300 -0.051 0.000 1.102 352 M CB -1.246 31.247 32.600 -0.178 0.000 1.336 352 M HN 0.201 nan 8.290 nan 0.000 0.404 353 H N 1.708 120.841 119.070 0.105 0.000 3.145 353 H HA 0.162 4.718 4.556 -0.000 0.000 0.263 353 H C -1.987 173.360 175.328 0.031 0.000 1.057 353 H CA -1.679 54.457 56.048 0.147 0.000 1.477 353 H CB -0.615 29.301 29.762 0.257 0.000 1.529 353 H HN 0.144 nan 8.280 nan 0.000 0.508 354 P HA -0.111 nan 4.420 nan 0.000 0.266 354 P C 0.363 177.642 177.300 -0.036 0.000 1.195 354 P CA -0.192 62.906 63.100 -0.003 0.000 0.768 354 P CB 0.775 32.449 31.700 -0.042 0.000 0.838 355 D N 2.438 122.840 120.400 0.003 0.000 2.419 355 D HA 0.055 4.695 4.640 -0.000 0.000 0.281 355 D C 0.332 176.614 176.300 -0.030 0.000 1.398 355 D CA 0.338 54.337 54.000 -0.002 0.000 1.047 355 D CB -0.457 40.358 40.800 0.024 0.000 1.115 355 D HN 0.347 nan 8.370 nan 0.000 0.540 356 A N 3.785 126.560 122.820 -0.076 0.000 2.573 356 A HA 0.206 4.526 4.320 -0.000 0.000 0.266 356 A C 0.574 178.167 177.584 0.014 0.000 1.007 356 A CA 0.697 52.686 52.037 -0.080 0.000 0.878 356 A CB -0.254 18.673 19.000 -0.122 0.000 0.886 356 A HN 0.542 nan 8.150 nan 0.000 0.507 357 S N 1.740 117.418 115.700 -0.037 0.000 2.740 357 S HA 0.663 5.133 4.470 -0.000 0.000 0.300 357 S C 0.058 174.609 174.600 -0.082 0.000 1.147 357 S CA -0.446 57.726 58.200 -0.047 0.000 0.871 357 S CB 0.985 64.169 63.200 -0.027 0.000 1.173 357 S HN 1.427 nan 8.310 nan 0.000 0.510 358 V N 1.156 121.010 119.914 -0.101 0.000 2.788 358 V HA 0.390 4.510 4.120 -0.000 0.000 0.307 358 V C -0.547 175.560 176.094 0.022 0.000 1.069 358 V CA 1.016 63.281 62.300 -0.059 0.000 1.173 358 V CB 0.803 32.573 31.823 -0.088 0.000 0.925 358 V HN 1.042 nan 8.190 nan 0.000 0.492 359 T N 7.062 121.674 114.554 0.098 0.000 3.109 359 T HA 0.255 4.605 4.350 -0.000 0.000 0.311 359 T C -0.728 174.022 174.700 0.084 0.000 1.011 359 T CA -0.613 61.538 62.100 0.085 0.000 1.026 359 T CB 0.976 69.872 68.868 0.046 0.000 1.047 359 T HN 0.807 nan 8.240 nan 0.000 0.448 360 K N 3.060 123.465 120.400 0.008 0.000 2.312 360 K HA 0.555 4.875 4.320 -0.000 0.000 0.287 360 K C -0.403 176.095 176.600 -0.169 0.000 1.062 360 K CA -0.487 55.610 56.287 -0.317 0.000 0.934 360 K CB 0.703 33.072 32.500 -0.219 0.000 1.027 360 K HN 0.426 nan 8.250 nan 0.000 0.478 361 V N 4.995 124.675 119.914 -0.389 0.000 2.448 361 V HA 0.357 4.477 4.120 -0.000 0.000 0.295 361 V C -0.841 174.992 176.094 -0.435 0.000 1.025 361 V CA -0.732 61.330 62.300 -0.396 0.000 0.859 361 V CB 1.740 33.134 31.823 -0.715 0.000 0.988 361 V HN 0.504 nan 8.190 nan 0.000 0.431 362 V N 6.712 126.525 119.914 -0.167 0.000 2.356 362 V HA 0.202 4.322 4.120 -0.000 0.000 0.258 362 V C 1.609 177.626 176.094 -0.128 0.000 1.065 362 V CA 0.526 62.769 62.300 -0.095 0.000 0.935 362 V CB -0.101 31.739 31.823 0.028 0.000 1.061 362 V HN 1.071 nan 8.190 nan 0.000 0.484 363 S N 3.691 119.346 115.700 -0.074 0.000 2.389 363 S HA -0.282 4.188 4.470 -0.000 0.000 0.231 363 S C 2.040 176.635 174.600 -0.010 0.000 1.052 363 S CA 2.048 60.262 58.200 0.023 0.000 1.053 363 S CB -0.315 62.943 63.200 0.097 0.000 0.886 363 S HN 0.795 nan 8.310 nan 0.000 0.456 364 R N 0.883 121.378 120.500 -0.009 0.000 2.075 364 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 364 R C 1.419 177.737 176.300 0.030 0.000 1.126 364 R CA 1.677 57.780 56.100 0.006 0.000 0.963 364 R CB -0.393 29.910 30.300 0.005 0.000 0.858 364 R HN 0.271 nan 8.270 nan 0.000 0.435 365 D N -0.254 120.171 120.400 0.041 0.000 2.221 365 D HA -0.118 4.522 4.640 -0.000 0.000 0.204 365 D C 1.707 178.052 176.300 0.075 0.000 0.982 365 D CA 0.813 54.875 54.000 0.104 0.000 0.857 365 D CB 0.147 41.084 40.800 0.229 0.000 0.934 365 D HN 0.073 nan 8.370 nan 0.000 0.475 366 V N -0.220 119.665 119.914 -0.048 0.000 2.649 366 V HA -0.061 4.059 4.120 -0.000 0.000 0.248 366 V C 2.349 178.485 176.094 0.071 0.000 1.054 366 V CA 0.872 63.136 62.300 -0.060 0.000 1.073 366 V CB -0.132 31.596 31.823 -0.158 0.000 0.699 366 V HN 0.027 nan 8.190 nan 0.000 0.463 367 R N 0.201 120.750 120.500 0.082 0.000 2.070 367 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 367 R C 2.471 178.877 176.300 0.178 0.000 1.138 367 R CA 1.355 57.548 56.100 0.155 0.000 0.936 367 R CB -0.253 30.078 30.300 0.052 0.000 0.839 367 R HN 0.179 nan 8.270 nan 0.000 0.429 368 K N 0.275 120.741 120.400 0.109 0.000 2.218 368 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 368 K C 1.958 178.612 176.600 0.091 0.000 1.046 368 K CA 1.350 57.688 56.287 0.086 0.000 0.933 368 K CB -0.179 32.366 32.500 0.074 0.000 0.728 368 K HN 0.325 nan 8.250 nan 0.000 0.454 369 M N 0.257 119.934 119.600 0.127 0.000 2.099 369 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 369 M C 1.976 178.369 176.300 0.155 0.000 1.067 369 M CA 1.254 56.669 55.300 0.192 0.000 1.124 369 M CB 0.017 32.736 32.600 0.198 0.000 1.353 369 M HN -0.142 nan 8.290 nan 0.000 0.410 370 V N 0.738 120.649 119.914 -0.006 0.000 2.380 370 V HA -0.302 3.818 4.120 -0.000 0.000 0.251 370 V C 1.861 177.856 176.094 -0.165 0.000 1.063 370 V CA 2.140 64.265 62.300 -0.291 0.000 1.055 370 V CB -0.991 30.527 31.823 -0.508 0.000 0.657 370 V HN 0.535 nan 8.190 nan 0.000 0.455 371 E N -0.226 119.933 120.200 -0.069 0.000 2.204 371 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 371 E C 2.109 178.625 176.600 -0.139 0.000 0.989 371 E CA 0.935 57.296 56.400 -0.065 0.000 0.824 371 E CB -0.080 29.630 29.700 0.017 0.000 0.756 371 E HN 0.534 nan 8.360 nan 0.000 0.477 372 L N -0.976 120.099 121.223 -0.246 0.000 2.354 372 L HA 0.001 4.341 4.340 -0.000 0.000 0.212 372 L C 1.227 177.678 176.870 -0.700 0.000 1.091 372 L CA 0.656 55.148 54.840 -0.580 0.000 0.828 372 L CB 0.167 41.666 42.059 -0.933 0.000 0.973 372 L HN 0.185 nan 8.230 nan 0.000 0.461 373 Y N -3.044 117.233 120.300 -0.038 0.000 2.430 373 Y HA 0.230 4.780 4.550 -0.000 0.000 0.254 373 Y C 1.224 177.188 175.900 0.107 0.000 1.088 373 Y CA -0.804 57.287 58.100 -0.015 0.000 1.267 373 Y CB 0.129 38.609 38.460 0.034 0.000 1.204 373 Y HN 0.043 nan 8.280 nan 0.000 0.515 374 H N 0.091 119.189 119.070 0.047 0.000 2.547 374 H HA 0.550 5.106 4.556 -0.000 0.000 0.362 374 H C 0.119 175.425 175.328 -0.037 0.000 1.181 374 H CA 0.263 56.311 56.048 -0.000 0.000 1.376 374 H CB 1.319 31.042 29.762 -0.065 0.000 1.488 374 H HN 0.318 nan 8.280 nan 0.000 0.583 375 G N 1.788 110.602 108.800 0.024 0.000 2.350 375 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.274 375 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.274 375 G C 0.359 175.245 174.900 -0.024 0.000 1.621 375 G CA -0.746 44.353 45.100 -0.002 0.000 0.935 375 G HN 0.512 nan 8.290 nan 0.000 0.694 376 R N 1.099 121.586 120.500 -0.022 0.000 2.103 376 R HA -0.141 4.199 4.340 -0.000 0.000 0.242 376 R C 1.818 178.107 176.300 -0.019 0.000 1.142 376 R CA 2.234 58.320 56.100 -0.023 0.000 0.960 376 R CB -0.179 30.113 30.300 -0.013 0.000 0.858 376 R HN 0.737 nan 8.270 nan 0.000 0.439 377 D N -0.247 120.146 120.400 -0.013 0.000 2.413 377 D HA 0.029 4.669 4.640 -0.000 0.000 0.237 377 D C 0.198 176.494 176.300 -0.006 0.000 1.171 377 D CA 0.029 54.022 54.000 -0.011 0.000 0.839 377 D CB -0.037 40.759 40.800 -0.007 0.000 0.950 377 D HN 0.056 nan 8.370 nan 0.000 0.499 378 R N -2.007 118.490 120.500 -0.005 0.000 2.987 378 R HA 0.649 4.989 4.340 -0.000 0.000 0.248 378 R C 0.559 176.867 176.300 0.013 0.000 1.264 378 R CA -0.604 55.505 56.100 0.015 0.000 1.026 378 R CB 1.624 31.941 30.300 0.028 0.000 1.286 378 R HN 0.062 nan 8.270 nan 0.000 0.483 379 G N 0.459 109.293 108.800 0.056 0.000 2.278 379 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.210 379 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.210 379 G C 0.843 175.759 174.900 0.027 0.000 1.000 379 G CA 0.515 45.646 45.100 0.052 0.000 0.635 379 G HN 0.548 nan 8.290 nan 0.000 0.495 380 R N 0.158 120.629 120.500 -0.048 0.000 2.103 380 R HA 0.035 4.375 4.340 -0.000 0.000 0.234 380 R C 2.226 178.439 176.300 -0.145 0.000 1.132 380 R CA 2.657 58.651 56.100 -0.177 0.000 0.925 380 R CB -0.625 29.457 30.300 -0.363 0.000 0.842 380 R HN 0.450 nan 8.270 nan 0.000 0.430 381 F N 0.029 120.011 119.950 0.054 0.000 2.163 381 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 381 F C 2.180 177.935 175.800 -0.075 0.000 1.094 381 F CA 0.280 58.260 58.000 -0.032 0.000 1.290 381 F CB -0.372 38.565 39.000 -0.105 0.000 1.017 381 F HN 0.133 nan 8.300 nan 0.000 0.483 382 L N 1.304 122.675 121.223 0.246 0.000 1.976 382 L HA -0.327 4.013 4.340 -0.000 0.000 0.223 382 L C 2.350 179.178 176.870 -0.070 0.000 1.081 382 L CA 2.071 56.976 54.840 0.108 0.000 0.784 382 L CB -1.036 41.122 42.059 0.165 0.000 0.896 382 L HN 0.093 nan 8.230 nan 0.000 0.438 383 K N -0.549 119.821 120.400 -0.051 0.000 2.059 383 K HA -0.319 4.001 4.320 -0.000 0.000 0.212 383 K C 2.279 178.871 176.600 -0.013 0.000 1.050 383 K CA 2.321 58.554 56.287 -0.090 0.000 0.927 383 K CB -0.274 32.227 32.500 0.001 0.000 0.714 383 K HN 0.446 nan 8.250 nan 0.000 0.447 384 K N 0.678 121.118 120.400 0.066 0.000 1.977 384 K HA -0.218 4.102 4.320 -0.000 0.000 0.218 384 K C 2.014 178.666 176.600 0.086 0.000 1.051 384 K CA 2.260 58.636 56.287 0.148 0.000 0.953 384 K CB -0.169 32.454 32.500 0.205 0.000 0.727 384 K HN 0.174 nan 8.250 nan 0.000 0.445 385 R N 0.561 121.039 120.500 -0.037 0.000 2.200 385 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 385 R C 2.475 178.661 176.300 -0.190 0.000 1.127 385 R CA 1.299 57.320 56.100 -0.131 0.000 0.989 385 R CB -0.531 29.634 30.300 -0.226 0.000 0.869 385 R HN 0.265 nan 8.270 nan 0.000 0.459 386 L N -0.107 120.943 121.223 -0.288 0.000 1.988 386 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 386 L C 2.379 179.136 176.870 -0.188 0.000 1.071 386 L CA 1.259 55.792 54.840 -0.513 0.000 0.744 386 L CB -0.511 40.904 42.059 -1.074 0.000 0.893 386 L HN 0.050 nan 8.230 nan 0.000 0.433 387 F N 1.042 120.926 119.950 -0.110 0.000 2.046 387 F HA -0.255 4.272 4.527 -0.000 0.000 0.297 387 F C 2.490 178.327 175.800 0.061 0.000 1.123 387 F CA 1.917 59.992 58.000 0.126 0.000 1.199 387 F CB -0.462 38.631 39.000 0.155 0.000 0.972 387 F HN 0.066 nan 8.300 nan 0.000 0.474 388 E N -1.035 119.091 120.200 -0.123 0.000 2.086 388 E HA -0.339 4.011 4.350 -0.000 0.000 0.200 388 E C 2.397 178.859 176.600 -0.230 0.000 1.012 388 E CA 1.797 58.048 56.400 -0.247 0.000 0.812 388 E CB -0.526 29.128 29.700 -0.078 0.000 0.743 388 E HN 0.616 nan 8.360 nan 0.000 0.453 389 H N -0.113 118.786 119.070 -0.286 0.000 2.395 389 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 389 H C 2.237 177.384 175.328 -0.302 0.000 1.070 389 H CA 0.712 56.616 56.048 -0.240 0.000 1.356 389 H CB 0.162 29.768 29.762 -0.260 0.000 1.401 389 H HN 0.147 nan 8.280 nan 0.000 0.524 390 L N -0.080 120.806 121.223 -0.561 0.000 2.093 390 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 390 L C 1.542 177.862 176.870 -0.917 0.000 1.085 390 L CA 1.116 55.381 54.840 -0.959 0.000 0.755 390 L CB -0.194 41.156 42.059 -1.182 0.000 0.904 390 L HN 0.491 nan 8.230 nan 0.000 0.435 391 H N -2.021 116.742 119.070 -0.513 0.000 2.893 391 H HA 0.349 4.905 4.556 -0.000 0.000 0.270 391 H C 0.328 175.293 175.328 -0.606 0.000 1.095 391 H CA -0.257 55.401 56.048 -0.649 0.000 1.186 391 H CB 1.141 30.200 29.762 -1.171 0.000 1.562 391 H HN 0.191 nan 8.280 nan 0.000 0.536 392 I N 1.968 122.318 120.570 -0.367 0.000 2.440 392 I HA 0.067 4.237 4.170 -0.000 0.000 0.294 392 I C 0.152 176.139 176.117 -0.217 0.000 0.995 392 I CA -0.677 60.457 61.300 -0.277 0.000 1.306 392 I CB 2.089 39.964 38.000 -0.209 0.000 1.407 392 I HN -0.231 nan 8.210 nan 0.000 0.501 393 V N 6.763 126.518 119.914 -0.265 0.000 2.408 393 V HA 0.203 4.323 4.120 -0.000 0.000 0.267 393 V C 0.726 176.760 176.094 -0.099 0.000 1.047 393 V CA -0.587 61.580 62.300 -0.223 0.000 0.937 393 V CB 0.658 32.256 31.823 -0.376 0.000 0.999 393 V HN 0.600 nan 8.190 nan 0.000 0.472 394 R N 4.200 124.640 120.500 -0.099 0.000 2.606 394 R HA 0.212 4.552 4.340 -0.000 0.000 0.276 394 R C -0.189 176.101 176.300 -0.018 0.000 1.416 394 R CA 0.093 56.161 56.100 -0.053 0.000 1.064 394 R CB -0.122 30.149 30.300 -0.050 0.000 1.117 394 R HN 0.646 nan 8.270 nan 0.000 0.543 395 K N 1.890 122.277 120.400 -0.022 0.000 2.508 395 K HA 0.244 4.564 4.320 -0.000 0.000 0.260 395 K C -1.540 174.992 176.600 -0.114 0.000 0.949 395 K CA -0.884 55.375 56.287 -0.046 0.000 0.834 395 K CB 1.447 33.904 32.500 -0.072 0.000 1.365 395 K HN 0.226 nan 8.250 nan 0.000 0.437 396 N N 1.845 120.521 118.700 -0.041 0.000 2.476 396 N HA 0.301 5.041 4.740 -0.000 0.000 0.257 396 N C 0.750 176.336 175.510 0.128 0.000 0.970 396 N CA 0.039 53.102 53.050 0.022 0.000 0.938 396 N CB 1.471 39.998 38.487 0.067 0.000 1.144 396 N HN 0.703 nan 8.380 nan 0.000 0.500 397 G N 3.148 112.064 108.800 0.192 0.000 2.672 397 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 397 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 397 G C 1.242 176.329 174.900 0.312 0.000 1.238 397 G CA 1.428 46.786 45.100 0.431 0.000 0.791 397 G HN 0.638 nan 8.290 nan 0.000 0.606 398 L N -0.200 121.183 121.223 0.267 0.000 2.137 398 L HA -0.103 4.237 4.340 -0.000 0.000 0.213 398 L C 2.749 179.694 176.870 0.126 0.000 1.085 398 L CA 0.880 55.814 54.840 0.157 0.000 0.760 398 L CB -0.554 41.580 42.059 0.126 0.000 0.893 398 L HN 0.179 nan 8.230 nan 0.000 0.434 399 L N -1.866 119.442 121.223 0.142 0.000 2.354 399 L HA 0.072 4.412 4.340 -0.000 0.000 0.212 399 L C 1.283 178.217 176.870 0.107 0.000 1.091 399 L CA -0.035 54.867 54.840 0.105 0.000 0.828 399 L CB -0.344 41.770 42.059 0.091 0.000 0.973 399 L HN 0.332 nan 8.230 nan 0.000 0.461 400 H N 1.726 120.836 119.070 0.065 0.000 2.722 400 H HA 0.130 4.686 4.556 -0.000 0.000 0.328 400 H C -0.783 174.562 175.328 0.028 0.000 1.067 400 H CA 0.082 56.161 56.048 0.051 0.000 1.447 400 H CB 1.108 30.919 29.762 0.080 0.000 1.469 400 H HN 0.075 nan 8.280 nan 0.000 0.544 401 E N 3.216 123.023 120.200 -0.654 0.000 2.081 401 E HA 0.184 4.534 4.350 -0.000 0.000 0.276 401 E C -0.797 175.459 176.600 -0.574 0.000 0.950 401 E CA -0.696 55.434 56.400 -0.450 0.000 0.776 401 E CB 0.625 30.181 29.700 -0.241 0.000 1.094 401 E HN 0.636 nan 8.360 nan 0.000 0.402 402 S N 3.008 118.580 115.700 -0.213 0.000 2.508 402 S HA 0.269 4.739 4.470 -0.000 0.000 0.284 402 S C 0.164 174.758 174.600 -0.010 0.000 1.192 402 S CA -0.870 57.335 58.200 0.008 0.000 1.070 402 S CB 1.566 64.816 63.200 0.083 0.000 1.004 402 S HN 0.454 nan 8.310 nan 0.000 0.493 403 D N 1.092 121.511 120.400 0.032 0.000 2.348 403 D HA 0.140 4.780 4.640 -0.000 0.000 0.211 403 D C 0.506 176.822 176.300 0.027 0.000 0.998 403 D CA 0.712 54.725 54.000 0.022 0.000 0.873 403 D CB 0.335 41.157 40.800 0.038 0.000 0.925 403 D HN 0.666 nan 8.370 nan 0.000 0.524 404 E N 0.368 120.591 120.200 0.039 0.000 2.404 404 E HA 0.399 4.749 4.350 -0.000 0.000 0.264 404 E C -2.458 174.141 176.600 -0.001 0.000 0.946 404 E CA -1.797 54.622 56.400 0.032 0.000 0.806 404 E CB 1.277 31.018 29.700 0.069 0.000 1.334 404 E HN -0.083 nan 8.360 nan 0.000 0.429 405 P HA 0.285 nan 4.420 nan 0.000 0.282 405 P C -0.808 176.427 177.300 -0.109 0.000 1.249 405 P CA -0.354 62.708 63.100 -0.064 0.000 0.806 405 P CB 1.024 32.687 31.700 -0.062 0.000 0.984 406 R N 0.804 121.194 120.500 -0.184 0.000 2.837 406 R HA 0.903 5.243 4.340 -0.000 0.000 0.271 406 R C -1.490 174.582 176.300 -0.380 0.000 0.993 406 R CA -1.208 54.713 56.100 -0.298 0.000 0.931 406 R CB 1.595 31.687 30.300 -0.347 0.000 1.206 406 R HN 0.394 nan 8.270 nan 0.000 0.474 407 A N 1.209 123.693 122.820 -0.560 0.000 2.371 407 A HA 0.530 4.850 4.320 -0.000 0.000 0.311 407 A C -1.507 175.928 177.584 -0.248 0.000 1.068 407 A CA -0.821 50.910 52.037 -0.510 0.000 0.744 407 A CB 1.473 19.933 19.000 -0.899 0.000 1.239 407 A HN 0.851 nan 8.150 nan 0.000 0.435 408 D N 2.035 122.379 120.400 -0.092 0.000 2.513 408 D HA 0.404 5.044 4.640 -0.000 0.000 0.295 408 D C -0.913 175.462 176.300 0.125 0.000 1.202 408 D CA 0.109 54.216 54.000 0.179 0.000 0.849 408 D CB 0.765 41.644 40.800 0.132 0.000 1.116 408 D HN 0.369 nan 8.370 nan 0.000 0.502 409 L N 1.367 122.683 121.223 0.156 0.000 2.307 409 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 409 L C 0.051 176.963 176.870 0.070 0.000 1.023 409 L CA -1.022 53.680 54.840 -0.229 0.000 0.810 409 L CB 0.659 42.447 42.059 -0.452 0.000 1.231 409 L HN 0.455 nan 8.230 nan 0.000 0.423 410 F N 3.022 123.118 119.950 0.242 0.000 3.067 410 F HA -0.335 4.192 4.527 -0.000 0.000 0.279 410 F C 0.620 176.627 175.800 0.345 0.000 0.945 410 F CA 0.753 58.951 58.000 0.329 0.000 0.948 410 F CB -1.875 37.318 39.000 0.320 0.000 0.898 410 F HN 0.682 nan 8.300 nan 0.000 0.746 411 Y N -4.390 116.057 120.300 0.245 0.000 2.472 411 Y HA 0.398 4.948 4.550 -0.000 0.000 0.283 411 Y C 1.020 176.983 175.900 0.105 0.000 1.038 411 Y CA -0.326 57.868 58.100 0.157 0.000 1.126 411 Y CB -0.682 37.858 38.460 0.132 0.000 1.374 411 Y HN -0.037 nan 8.280 nan 0.000 0.576 412 L N 1.896 122.709 121.223 -0.683 0.000 2.027 412 L HA -0.028 4.312 4.340 -0.000 0.000 0.206 412 L C 2.000 178.699 176.870 -0.284 0.000 1.074 412 L CA 2.789 57.218 54.840 -0.684 0.000 0.745 412 L CB -0.788 40.931 42.059 -0.568 0.000 0.898 412 L HN 0.584 nan 8.230 nan 0.000 0.433 413 T N -3.349 111.058 114.554 -0.244 0.000 3.278 413 T HA 0.151 4.501 4.350 -0.000 0.000 0.251 413 T C 0.598 175.080 174.700 -0.363 0.000 1.039 413 T CA -0.436 61.372 62.100 -0.487 0.000 0.935 413 T CB -1.116 67.424 68.868 -0.545 0.000 1.034 413 T HN 0.254 nan 8.240 nan 0.000 0.575 414 N N 1.434 120.113 118.700 -0.035 0.000 2.482 414 N HA 0.167 4.907 4.740 -0.000 0.000 0.260 414 N C 1.206 176.867 175.510 0.251 0.000 1.236 414 N CA -0.626 52.466 53.050 0.071 0.000 0.938 414 N CB 0.850 39.389 38.487 0.086 0.000 1.128 414 N HN 0.141 nan 8.380 nan 0.000 0.448 415 R N 1.002 121.614 120.500 0.188 0.000 2.237 415 R HA -0.103 4.237 4.340 -0.000 0.000 0.219 415 R C 1.850 178.215 176.300 0.108 0.000 1.080 415 R CA 1.030 57.249 56.100 0.198 0.000 0.995 415 R CB -0.350 30.005 30.300 0.092 0.000 0.875 415 R HN 0.823 nan 8.270 nan 0.000 0.462 416 C N -0.530 118.830 119.300 0.101 0.000 2.435 416 C HA 0.129 4.589 4.460 -0.000 0.000 0.279 416 C C 1.454 176.492 174.990 0.080 0.000 1.321 416 C CA -0.043 59.016 59.018 0.069 0.000 1.752 416 C CB -0.862 26.920 27.740 0.069 0.000 1.959 416 C HN 0.358 nan 8.230 nan 0.000 0.500 417 N N 0.777 119.562 118.700 0.142 0.000 2.370 417 N HA 0.151 4.891 4.740 -0.000 0.000 0.198 417 N C 0.287 175.860 175.510 0.103 0.000 1.156 417 N CA 0.105 53.242 53.050 0.145 0.000 0.839 417 N CB -0.261 38.337 38.487 0.186 0.000 0.989 417 N HN 0.682 nan 8.380 nan 0.000 0.468 418 M N -0.154 119.433 119.600 -0.021 0.000 2.248 418 M HA 0.093 4.573 4.480 -0.000 0.000 0.345 418 M C 1.204 177.394 176.300 -0.184 0.000 1.243 418 M CA 0.920 56.044 55.300 -0.294 0.000 1.090 418 M CB 0.356 32.757 32.600 -0.332 0.000 1.683 418 M HN 0.428 nan 8.290 nan 0.000 0.450 419 G N 3.793 112.457 108.800 -0.226 0.000 2.220 419 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.269 419 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.269 419 G C 0.200 175.102 174.900 0.003 0.000 0.977 419 G CA 0.633 45.680 45.100 -0.089 0.000 0.634 419 G HN 0.675 nan 8.290 nan 0.000 0.539 420 L N 0.626 121.868 121.223 0.031 0.000 2.862 420 L HA 0.378 4.718 4.340 -0.000 0.000 0.240 420 L C 1.874 178.800 176.870 0.092 0.000 1.283 420 L CA -0.143 54.734 54.840 0.062 0.000 1.117 420 L CB 0.143 42.238 42.059 0.059 0.000 1.444 420 L HN 0.079 nan 8.230 nan 0.000 0.456 421 E N 0.886 121.160 120.200 0.124 0.000 2.068 421 E HA -0.229 4.121 4.350 -0.000 0.000 0.207 421 E C -0.503 176.230 176.600 0.222 0.000 1.032 421 E CA 1.933 58.438 56.400 0.174 0.000 0.839 421 E CB -1.189 28.695 29.700 0.308 0.000 0.758 421 E HN 0.334 nan 8.360 nan 0.000 0.457 422 P HA -0.305 nan 4.420 nan 0.000 0.221 422 P C 1.503 178.923 177.300 0.199 0.000 1.160 422 P CA 2.762 66.007 63.100 0.241 0.000 0.933 422 P CB -0.288 31.496 31.700 0.140 0.000 0.793 423 S N -0.771 115.000 115.700 0.117 0.000 2.359 423 S HA -0.229 4.241 4.470 -0.000 0.000 0.223 423 S C 1.972 176.598 174.600 0.044 0.000 1.039 423 S CA 1.671 59.917 58.200 0.077 0.000 1.042 423 S CB -1.873 61.365 63.200 0.064 0.000 0.915 423 S HN 0.070 nan 8.310 nan 0.000 0.439 424 I N 0.866 121.428 120.570 -0.014 0.000 2.113 424 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 424 I C 2.557 178.570 176.117 -0.173 0.000 1.057 424 I CA 2.224 63.433 61.300 -0.151 0.000 1.314 424 I CB -0.664 37.160 38.000 -0.292 0.000 1.022 424 I HN 0.271 nan 8.210 nan 0.000 0.408 425 Y N 0.333 120.663 120.300 0.050 0.000 2.181 425 Y HA -0.291 4.259 4.550 -0.000 0.000 0.288 425 Y C 2.629 178.550 175.900 0.034 0.000 1.146 425 Y CA 1.633 59.771 58.100 0.063 0.000 1.164 425 Y CB -0.428 38.092 38.460 0.101 0.000 0.982 425 Y HN 0.172 nan 8.280 nan 0.000 0.515 426 E N 0.177 120.473 120.200 0.159 0.000 2.118 426 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 426 E C 2.064 178.670 176.600 0.010 0.000 0.992 426 E CA 1.316 57.758 56.400 0.070 0.000 0.804 426 E CB -0.237 29.498 29.700 0.058 0.000 0.741 426 E HN 0.209 nan 8.360 nan 0.000 0.458 427 V N 0.617 120.533 119.914 0.003 0.000 2.216 427 V HA -0.332 3.788 4.120 -0.000 0.000 0.243 427 V C 2.351 178.418 176.094 -0.045 0.000 1.044 427 V CA 2.298 64.580 62.300 -0.031 0.000 0.995 427 V CB -0.543 31.256 31.823 -0.040 0.000 0.633 427 V HN 0.417 nan 8.190 nan 0.000 0.446 428 M N -0.342 119.238 119.600 -0.033 0.000 2.337 428 M HA -0.254 4.226 4.480 -0.000 0.000 0.261 428 M C 2.152 178.440 176.300 -0.019 0.000 1.067 428 M CA 1.644 56.935 55.300 -0.014 0.000 1.074 428 M CB -0.669 31.946 32.600 0.025 0.000 1.395 428 M HN 0.304 nan 8.290 nan 0.000 0.431 429 K N 1.821 122.181 120.400 -0.066 0.000 2.365 429 K HA -0.145 4.175 4.320 -0.000 0.000 0.199 429 K C 0.586 177.041 176.600 -0.241 0.000 1.045 429 K CA 1.115 57.239 56.287 -0.272 0.000 0.962 429 K CB 0.252 32.545 32.500 -0.345 0.000 0.759 429 K HN 0.347 nan 8.250 nan 0.000 0.469 430 K N -1.522 118.797 120.400 -0.135 0.000 2.637 430 K HA 0.171 4.491 4.320 -0.000 0.000 0.184 430 K C -0.396 176.149 176.600 -0.091 0.000 1.200 430 K CA -0.409 55.810 56.287 -0.113 0.000 1.122 430 K CB 0.759 33.195 32.500 -0.107 0.000 0.926 430 K HN -0.117 nan 8.250 nan 0.000 0.535 431 S N 0.339 115.987 115.700 -0.085 0.000 2.554 431 S HA 0.296 4.766 4.470 -0.000 0.000 0.278 431 S C 1.397 175.954 174.600 -0.071 0.000 1.242 431 S CA -0.722 57.420 58.200 -0.096 0.000 1.051 431 S CB 0.886 64.026 63.200 -0.100 0.000 0.986 431 S HN 0.089 nan 8.310 nan 0.000 0.502 432 V N 4.800 124.667 119.914 -0.079 0.000 2.215 432 V HA -0.090 4.030 4.120 -0.000 0.000 0.249 432 V C 1.135 177.246 176.094 0.029 0.000 1.054 432 V CA 2.017 64.305 62.300 -0.020 0.000 1.012 432 V CB -0.481 31.303 31.823 -0.065 0.000 0.639 432 V HN 0.821 nan 8.190 nan 0.000 0.448 433 I N -0.806 119.751 120.570 -0.022 0.000 2.548 433 I HA 0.662 4.832 4.170 -0.000 0.000 0.287 433 I C -0.728 175.322 176.117 -0.112 0.000 1.103 433 I CA -0.408 60.873 61.300 -0.032 0.000 1.049 433 I CB 1.487 39.525 38.000 0.063 0.000 1.232 433 I HN 0.209 nan 8.210 nan 0.000 0.429 434 A N 4.218 126.970 122.820 -0.114 0.000 2.530 434 A HA 0.979 5.299 4.320 -0.000 0.000 0.288 434 A C -0.885 176.614 177.584 -0.142 0.000 1.172 434 A CA -0.424 51.531 52.037 -0.137 0.000 0.733 434 A CB 2.019 20.954 19.000 -0.108 0.000 1.320 434 A HN 0.672 nan 8.150 nan 0.000 0.419 435 T N -2.009 112.455 114.554 -0.149 0.000 3.041 435 T HA 0.767 5.117 4.350 -0.000 0.000 0.321 435 T C -0.665 174.067 174.700 0.053 0.000 1.184 435 T CA 0.066 62.139 62.100 -0.046 0.000 1.050 435 T CB 1.329 70.129 68.868 -0.113 0.000 1.159 435 T HN 2.052 nan 8.240 nan 0.000 0.469 436 A N 2.669 125.549 122.820 0.100 0.000 2.355 436 A HA 0.674 4.994 4.320 -0.000 0.000 0.317 436 A C -0.620 176.985 177.584 0.035 0.000 1.094 436 A CA -0.934 51.121 52.037 0.030 0.000 0.764 436 A CB 1.195 20.140 19.000 -0.091 0.000 1.230 436 A HN 0.927 nan 8.150 nan 0.000 0.448 437 W N 3.258 124.401 121.300 -0.263 0.000 2.210 437 W HA 0.348 5.008 4.660 -0.000 0.000 0.330 437 W C -0.210 176.089 176.519 -0.367 0.000 1.334 437 W CA 0.827 57.881 57.345 -0.485 0.000 1.227 437 W CB 1.217 30.423 29.460 -0.424 0.000 1.178 437 W HN 0.606 nan 8.180 nan 0.000 0.560 438 V N 2.711 122.017 119.914 -1.014 0.000 3.426 438 V HA 0.262 4.382 4.120 -0.000 0.000 0.279 438 V C 0.938 176.583 176.094 -0.748 0.000 1.544 438 V CA 0.256 62.169 62.300 -0.644 0.000 1.017 438 V CB -0.454 31.119 31.823 -0.415 0.000 0.821 438 V HN 0.622 nan 8.190 nan 0.000 0.432 439 G N 1.333 109.305 108.800 -1.381 0.000 2.365 439 G HA2 0.335 4.295 3.960 -0.000 0.000 0.249 439 G HA3 0.335 4.295 3.960 -0.000 0.000 0.249 439 G C 0.411 175.149 174.900 -0.271 0.000 1.288 439 G CA -0.363 44.223 45.100 -0.857 0.000 0.887 439 G HN 0.411 nan 8.290 nan 0.000 0.524 440 R N 1.780 122.188 120.500 -0.153 0.000 2.586 440 R HA 0.318 4.658 4.340 -0.000 0.000 0.306 440 R C 0.788 177.093 176.300 0.009 0.000 1.079 440 R CA -0.099 55.983 56.100 -0.031 0.000 1.083 440 R CB 0.425 30.690 30.300 -0.059 0.000 1.306 440 R HN 0.510 nan 8.270 nan 0.000 0.567 441 A N 1.606 124.457 122.820 0.050 0.000 2.263 441 A HA 0.475 4.795 4.320 -0.000 0.000 0.318 441 A C -1.617 175.972 177.584 0.010 0.000 1.111 441 A CA -1.352 50.709 52.037 0.040 0.000 0.901 441 A CB 0.314 19.354 19.000 0.066 0.000 1.280 441 A HN -0.044 nan 8.150 nan 0.000 0.503 442 P HA -0.011 nan 4.420 nan 0.000 0.228 442 P C -0.064 177.045 177.300 -0.319 0.000 1.151 442 P CA 1.007 63.944 63.100 -0.272 0.000 0.770 442 P CB 0.059 31.518 31.700 -0.401 0.000 0.786 443 L N 0.263 121.328 121.223 -0.264 0.000 2.417 443 L HA 0.307 4.647 4.340 -0.000 0.000 0.259 443 L C -0.375 176.438 176.870 -0.096 0.000 1.023 443 L CA -1.453 53.177 54.840 -0.349 0.000 0.901 443 L CB 0.176 42.326 42.059 0.152 0.000 1.227 443 L HN -0.097 nan 8.230 nan 0.000 0.454 444 Y N 2.283 122.644 120.300 0.102 0.000 3.359 444 Y HA -0.328 4.222 4.550 -0.000 0.000 0.363 444 Y C 1.253 177.221 175.900 0.113 0.000 1.209 444 Y CA 0.469 58.620 58.100 0.083 0.000 1.506 444 Y CB -0.226 38.275 38.460 0.069 0.000 1.124 444 Y HN 0.717 nan 8.280 nan 0.000 0.633 445 D N -1.046 119.509 120.400 0.259 0.000 2.463 445 D HA -0.327 4.313 4.640 -0.000 0.000 0.165 445 D C -0.626 175.798 176.300 0.207 0.000 1.471 445 D CA 2.164 56.281 54.000 0.193 0.000 1.333 445 D CB -0.751 40.157 40.800 0.181 0.000 1.227 445 D HN 0.639 nan 8.370 nan 0.000 0.427 446 Y N 0.363 120.684 120.300 0.035 0.000 2.352 446 Y HA 0.348 4.898 4.550 -0.000 0.000 0.339 446 Y C 0.672 176.428 175.900 -0.239 0.000 0.992 446 Y CA -0.495 57.535 58.100 -0.117 0.000 1.100 446 Y CB 1.780 40.095 38.460 -0.243 0.000 1.192 446 Y HN -0.290 nan 8.280 nan 0.000 0.458 447 D N 1.200 121.359 120.400 -0.402 0.000 2.395 447 D HA 0.085 4.725 4.640 -0.000 0.000 0.213 447 D C -0.522 175.648 176.300 -0.216 0.000 1.110 447 D CA 0.245 54.094 54.000 -0.251 0.000 0.835 447 D CB 0.289 40.966 40.800 -0.205 0.000 0.965 447 D HN 0.581 nan 8.370 nan 0.000 0.505 448 D N -0.728 119.469 120.400 -0.338 0.000 2.414 448 D HA 0.277 4.917 4.640 -0.000 0.000 0.259 448 D C 0.275 176.498 176.300 -0.128 0.000 1.269 448 D CA -0.154 53.693 54.000 -0.254 0.000 1.028 448 D CB 0.508 41.112 40.800 -0.327 0.000 1.093 448 D HN 0.124 nan 8.370 nan 0.000 0.545 449 F N -1.421 118.505 119.950 -0.041 0.000 2.697 449 F HA 0.871 5.398 4.527 -0.000 0.000 0.386 449 F C -0.507 175.460 175.800 0.279 0.000 1.154 449 F CA -1.337 56.708 58.000 0.076 0.000 1.108 449 F CB 0.649 39.678 39.000 0.048 0.000 1.429 449 F HN 0.256 nan 8.300 nan 0.000 0.509 450 A N 0.577 123.618 122.820 0.368 0.000 2.469 450 A HA 0.779 5.099 4.320 -0.000 0.000 0.299 450 A C -1.520 176.172 177.584 0.180 0.000 1.098 450 A CA -0.956 51.190 52.037 0.183 0.000 0.737 450 A CB 1.404 20.469 19.000 0.108 0.000 1.312 450 A HN 0.800 nan 8.150 nan 0.000 0.414 451 L N 1.248 122.508 121.223 0.061 0.000 2.322 451 L HA 0.421 4.761 4.340 -0.000 0.000 0.279 451 L C -2.271 174.648 176.870 0.082 0.000 1.036 451 L CA -2.046 52.869 54.840 0.125 0.000 0.807 451 L CB 1.551 43.678 42.059 0.113 0.000 1.226 451 L HN 0.420 nan 8.230 nan 0.000 0.433 452 P HA 0.081 nan 4.420 nan 0.000 0.264 452 P C 0.118 177.447 177.300 0.049 0.000 1.193 452 P CA 0.053 63.194 63.100 0.067 0.000 0.763 452 P CB 0.607 32.359 31.700 0.088 0.000 0.810 453 R N 2.045 122.545 120.500 -0.001 0.000 2.061 453 R HA -0.123 4.217 4.340 -0.000 0.000 0.230 453 R C 2.351 178.640 176.300 -0.019 0.000 1.140 453 R CA 2.051 58.135 56.100 -0.026 0.000 0.940 453 R CB -1.076 29.185 30.300 -0.066 0.000 0.839 453 R HN 0.633 nan 8.270 nan 0.000 0.429 454 S N 0.912 116.597 115.700 -0.026 0.000 2.426 454 S HA -0.306 4.164 4.470 -0.000 0.000 0.259 454 S C 2.055 176.632 174.600 -0.038 0.000 1.096 454 S CA 2.456 60.620 58.200 -0.061 0.000 1.219 454 S CB -1.421 61.810 63.200 0.053 0.000 1.124 454 S HN 0.328 nan 8.310 nan 0.000 0.436 455 T N 2.168 116.743 114.554 0.034 0.000 2.720 455 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 455 T C 1.940 176.664 174.700 0.040 0.000 1.037 455 T CA 1.410 63.528 62.100 0.030 0.000 1.144 455 T CB -0.782 68.128 68.868 0.071 0.000 0.864 455 T HN 0.297 nan 8.240 nan 0.000 0.444 456 V N 1.321 121.308 119.914 0.122 0.000 2.233 456 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 456 V C 2.519 178.673 176.094 0.099 0.000 1.050 456 V CA 1.987 64.404 62.300 0.194 0.000 1.010 456 V CB -0.589 31.325 31.823 0.152 0.000 0.637 456 V HN 0.424 nan 8.190 nan 0.000 0.444 457 M N -0.899 118.703 119.600 0.002 0.000 2.143 457 M HA -0.256 4.224 4.480 -0.000 0.000 0.258 457 M C 1.881 178.129 176.300 -0.087 0.000 1.071 457 M CA 2.054 57.310 55.300 -0.074 0.000 1.088 457 M CB -0.272 32.220 32.600 -0.181 0.000 1.360 457 M HN 0.299 nan 8.290 nan 0.000 0.404 458 L N -1.347 119.843 121.223 -0.056 0.000 2.168 458 L HA -0.093 4.247 4.340 -0.000 0.000 0.203 458 L C 1.935 178.984 176.870 0.299 0.000 1.078 458 L CA 0.495 55.371 54.840 0.061 0.000 0.780 458 L CB -0.752 41.318 42.059 0.018 0.000 0.939 458 L HN 0.246 nan 8.230 nan 0.000 0.451 459 N N 0.602 119.368 118.700 0.110 0.000 2.300 459 N HA -0.068 4.672 4.740 -0.000 0.000 0.179 459 N C 1.840 177.526 175.510 0.294 0.000 1.016 459 N CA 1.365 54.459 53.050 0.074 0.000 0.876 459 N CB -0.420 37.885 38.487 -0.304 0.000 0.979 459 N HN 0.312 nan 8.380 nan 0.000 0.432 460 G N 0.241 109.229 108.800 0.313 0.000 2.404 460 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.213 460 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.213 460 G C 0.591 175.780 174.900 0.482 0.000 1.189 460 G CA 0.240 45.578 45.100 0.395 0.000 0.796 460 G HN 0.357 nan 8.290 nan 0.000 0.532 461 S N 0.171 116.115 115.700 0.406 0.000 2.509 461 S HA 0.355 4.825 4.470 -0.000 0.000 0.287 461 S C -0.768 174.197 174.600 0.609 0.000 1.248 461 S CA -0.384 58.117 58.200 0.502 0.000 1.089 461 S CB -0.212 63.244 63.200 0.427 0.000 0.900 461 S HN 0.218 nan 8.310 nan 0.000 0.496 462 Y N 2.610 123.192 120.300 0.469 0.000 2.693 462 Y HA 0.494 5.044 4.550 -0.000 0.000 0.331 462 Y C 1.414 177.483 175.900 0.281 0.000 1.092 462 Y CA -1.159 57.203 58.100 0.436 0.000 1.131 462 Y CB 0.756 39.345 38.460 0.215 0.000 1.318 462 Y HN 0.531 nan 8.280 nan 0.000 0.510 463 R N 0.023 120.689 120.500 0.277 0.000 2.080 463 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 463 R C 0.666 176.902 176.300 -0.107 0.000 1.137 463 R CA 2.426 58.385 56.100 -0.236 0.000 0.943 463 R CB -0.173 30.105 30.300 -0.038 0.000 0.846 463 R HN 0.713 nan 8.270 nan 0.000 0.431 464 D N -0.729 119.695 120.400 0.041 0.000 2.289 464 D HA 0.029 4.669 4.640 -0.000 0.000 0.207 464 D C -0.105 176.218 176.300 0.038 0.000 0.966 464 D CA 0.682 54.692 54.000 0.016 0.000 0.868 464 D CB 0.322 41.129 40.800 0.012 0.000 0.943 464 D HN 0.068 nan 8.370 nan 0.000 0.514 465 I N 1.462 122.106 120.570 0.123 0.000 2.328 465 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 465 I C 0.338 176.547 176.117 0.153 0.000 1.012 465 I CA -0.756 60.618 61.300 0.122 0.000 1.195 465 I CB 1.130 39.218 38.000 0.148 0.000 1.350 465 I HN -0.317 nan 8.210 nan 0.000 0.464 466 R N 4.588 125.118 120.500 0.050 0.000 2.357 466 R HA 0.423 4.763 4.340 -0.000 0.000 0.296 466 R C -0.288 176.034 176.300 0.038 0.000 1.052 466 R CA -0.228 55.891 56.100 0.031 0.000 0.988 466 R CB 0.785 30.994 30.300 -0.152 0.000 1.025 466 R HN 0.565 nan 8.270 nan 0.000 0.469 467 I N 5.497 126.116 120.570 0.082 0.000 2.934 467 I HA 0.269 4.439 4.170 -0.000 0.000 0.312 467 I C -1.383 174.746 176.117 0.021 0.000 1.342 467 I CA -0.044 61.297 61.300 0.068 0.000 0.946 467 I CB 0.083 38.156 38.000 0.122 0.000 2.034 467 I HN 0.463 nan 8.210 nan 0.000 0.604 468 L N 2.262 123.483 121.223 -0.003 0.000 2.416 468 L HA 0.497 4.837 4.340 -0.000 0.000 0.262 468 L C 0.154 177.018 176.870 -0.010 0.000 1.093 468 L CA -1.080 53.751 54.840 -0.014 0.000 0.801 468 L CB 0.735 42.794 42.059 0.000 0.000 1.191 468 L HN 0.424 nan 8.230 nan 0.000 0.459 469 D N -0.096 120.284 120.400 -0.034 0.000 2.360 469 D HA 0.115 4.755 4.640 -0.000 0.000 0.242 469 D C 1.215 177.535 176.300 0.035 0.000 1.184 469 D CA -0.052 53.929 54.000 -0.032 0.000 0.930 469 D CB 0.935 41.678 40.800 -0.095 0.000 1.161 469 D HN 0.584 nan 8.370 nan 0.000 0.447 470 G N 0.221 109.066 108.800 0.074 0.000 2.476 470 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.218 470 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.218 470 G C 1.341 176.346 174.900 0.175 0.000 1.164 470 G CA 0.893 46.127 45.100 0.223 0.000 0.768 470 G HN 0.762 nan 8.290 nan 0.000 0.560 471 N N 0.673 119.413 118.700 0.067 0.000 2.084 471 N HA -0.111 4.629 4.740 -0.000 0.000 0.190 471 N C 2.480 178.063 175.510 0.121 0.000 1.030 471 N CA 1.310 54.440 53.050 0.132 0.000 0.849 471 N CB -0.410 38.143 38.487 0.110 0.000 1.012 471 N HN 0.276 nan 8.380 nan 0.000 0.423 472 G N 0.655 109.496 108.800 0.067 0.000 2.529 472 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 472 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 472 G C 1.584 176.580 174.900 0.159 0.000 1.177 472 G CA 1.331 46.474 45.100 0.073 0.000 0.773 472 G HN 0.520 nan 8.290 nan 0.000 0.573 473 A N 0.839 123.739 122.820 0.134 0.000 1.865 473 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 473 A C 2.409 180.110 177.584 0.195 0.000 1.191 473 A CA 1.542 53.668 52.037 0.149 0.000 0.623 473 A CB -0.394 18.648 19.000 0.071 0.000 0.826 473 A HN 0.295 nan 8.150 nan 0.000 0.444 474 I N -0.301 120.346 120.570 0.128 0.000 2.118 474 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 474 I C 2.451 178.633 176.117 0.109 0.000 1.070 474 I CA 1.433 62.749 61.300 0.027 0.000 1.327 474 I CB -1.166 36.669 38.000 -0.276 0.000 1.034 474 I HN 0.206 nan 8.210 nan 0.000 0.405 475 L N 0.087 121.406 121.223 0.159 0.000 1.990 475 L HA -0.270 4.070 4.340 -0.000 0.000 0.213 475 L C 2.516 179.552 176.870 0.277 0.000 1.072 475 L CA 1.870 56.827 54.840 0.194 0.000 0.755 475 L CB -1.832 40.325 42.059 0.164 0.000 0.889 475 L HN 0.179 nan 8.230 nan 0.000 0.432 476 F N -0.031 120.051 119.950 0.221 0.000 2.065 476 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 476 F C 2.336 178.276 175.800 0.232 0.000 1.112 476 F CA 1.581 59.787 58.000 0.343 0.000 1.212 476 F CB -0.253 38.925 39.000 0.296 0.000 0.975 476 F HN 0.004 nan 8.300 nan 0.000 0.476 477 L N -0.415 120.997 121.223 0.316 0.000 2.201 477 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 477 L C 2.480 179.417 176.870 0.111 0.000 1.105 477 L CA 1.130 56.096 54.840 0.210 0.000 0.775 477 L CB -0.544 41.648 42.059 0.222 0.000 0.913 477 L HN 0.268 nan 8.230 nan 0.000 0.440 478 M N -1.973 117.703 119.600 0.127 0.000 2.175 478 M HA -0.229 4.251 4.480 -0.000 0.000 0.264 478 M C 2.087 178.455 176.300 0.112 0.000 1.063 478 M CA 1.782 57.157 55.300 0.126 0.000 1.119 478 M CB -0.359 32.327 32.600 0.144 0.000 1.377 478 M HN 0.440 nan 8.290 nan 0.000 0.415 479 W N 0.652 121.851 121.300 -0.167 0.000 2.523 479 W HA -0.015 4.645 4.660 -0.000 0.000 0.278 479 W C 2.269 178.564 176.519 -0.373 0.000 1.236 479 W CA 1.054 58.261 57.345 -0.231 0.000 1.306 479 W CB -0.093 29.224 29.460 -0.239 0.000 1.101 479 W HN 0.024 nan 8.180 nan 0.000 0.577 480 R N -1.000 119.083 120.500 -0.695 0.000 2.103 480 R HA 0.065 4.405 4.340 -0.000 0.000 0.212 480 R C 0.275 176.093 176.300 -0.803 0.000 1.107 480 R CA 1.207 56.663 56.100 -1.072 0.000 1.025 480 R CB -0.825 28.525 30.300 -1.584 0.000 0.929 480 R HN 0.130 nan 8.270 nan 0.000 0.456 481 Y N 0.369 120.573 120.300 -0.160 0.000 2.723 481 Y HA 0.379 4.929 4.550 -0.000 0.000 0.374 481 Y C -1.915 173.987 175.900 0.003 0.000 1.062 481 Y CA -2.581 55.499 58.100 -0.033 0.000 1.321 481 Y CB 1.313 39.812 38.460 0.066 0.000 1.405 481 Y HN 0.175 nan 8.280 nan 0.000 0.583 482 P HA -0.166 nan 4.420 nan 0.000 0.219 482 P C 0.321 177.682 177.300 0.102 0.000 1.144 482 P CA 1.634 64.782 63.100 0.080 0.000 0.806 482 P CB 0.255 31.983 31.700 0.046 0.000 0.771 483 D N -2.305 118.165 120.400 0.116 0.000 2.670 483 D HA 0.220 4.860 4.640 -0.000 0.000 0.255 483 D C 1.258 177.627 176.300 0.115 0.000 1.286 483 D CA -0.013 54.049 54.000 0.104 0.000 0.830 483 D CB -0.140 40.707 40.800 0.078 0.000 1.065 483 D HN 0.166 nan 8.370 nan 0.000 0.486 484 I N -0.979 119.682 120.570 0.152 0.000 2.927 484 I HA 0.067 4.237 4.170 -0.000 0.000 0.268 484 I C 0.316 176.517 176.117 0.141 0.000 1.153 484 I CA 0.501 61.888 61.300 0.144 0.000 1.459 484 I CB 0.764 38.864 38.000 0.166 0.000 1.149 484 I HN -0.234 nan 8.210 nan 0.000 0.443 485 V N 2.894 122.897 119.914 0.149 0.000 2.340 485 V HA 0.237 4.357 4.120 -0.000 0.000 0.277 485 V C 0.060 176.226 176.094 0.120 0.000 1.017 485 V CA -0.894 61.482 62.300 0.126 0.000 0.820 485 V CB 1.136 33.030 31.823 0.119 0.000 1.028 485 V HN 0.129 nan 8.190 nan 0.000 0.436 486 K N 2.377 122.846 120.400 0.115 0.000 2.319 486 K HA 0.201 4.521 4.320 -0.000 0.000 0.265 486 K C 1.004 177.680 176.600 0.127 0.000 1.000 486 K CA -0.159 56.194 56.287 0.111 0.000 0.943 486 K CB 0.981 33.543 32.500 0.103 0.000 0.950 486 K HN 0.481 nan 8.250 nan 0.000 0.485 487 K N 1.107 121.580 120.400 0.122 0.000 2.147 487 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 487 K C 1.364 178.067 176.600 0.171 0.000 1.049 487 K CA 1.886 58.258 56.287 0.141 0.000 0.936 487 K CB -0.024 32.544 32.500 0.113 0.000 0.722 487 K HN 0.555 nan 8.250 nan 0.000 0.446 488 D N 0.519 121.008 120.400 0.147 0.000 2.194 488 D HA -0.095 4.545 4.640 -0.000 0.000 0.204 488 D C 0.183 176.600 176.300 0.194 0.000 0.964 488 D CA -0.048 54.045 54.000 0.156 0.000 0.846 488 D CB 0.031 40.899 40.800 0.113 0.000 0.962 488 D HN 0.017 nan 8.370 nan 0.000 0.490 489 L N 1.591 122.927 121.223 0.188 0.000 3.184 489 L HA -0.103 4.237 4.340 -0.000 0.000 0.341 489 L C -0.616 176.434 176.870 0.299 0.000 1.112 489 L CA 0.600 55.570 54.840 0.217 0.000 0.842 489 L CB -0.021 42.162 42.059 0.206 0.000 1.260 489 L HN -0.048 nan 8.230 nan 0.000 0.573 490 T N 6.929 121.632 114.554 0.249 0.000 2.814 490 T HA 0.445 4.795 4.350 -0.000 0.000 0.297 490 T C -0.544 174.352 174.700 0.326 0.000 0.956 490 T CA 0.605 62.849 62.100 0.241 0.000 1.123 490 T CB 0.054 69.018 68.868 0.160 0.000 0.902 490 T HN 0.653 nan 8.240 nan 0.000 0.528 491 Y N 0.318 120.689 120.300 0.118 0.000 2.625 491 Y HA 0.626 5.176 4.550 -0.000 0.000 0.338 491 Y C -1.200 174.739 175.900 0.065 0.000 1.123 491 Y CA -1.661 56.514 58.100 0.126 0.000 1.046 491 Y CB 1.341 39.928 38.460 0.212 0.000 1.299 491 Y HN 0.369 nan 8.280 nan 0.000 0.464 492 D N 2.906 123.318 120.400 0.019 0.000 2.467 492 D HA 0.394 5.034 4.640 -0.000 0.000 0.220 492 D C -2.156 174.101 176.300 -0.071 0.000 1.103 492 D CA -2.812 51.115 54.000 -0.122 0.000 0.886 492 D CB 1.643 42.416 40.800 -0.044 0.000 1.025 492 D HN 0.331 nan 8.370 nan 0.000 0.514 493 P HA -0.126 nan 4.420 nan 0.000 0.218 493 P C 1.048 178.311 177.300 -0.063 0.000 1.148 493 P CA 1.343 64.393 63.100 -0.084 0.000 0.822 493 P CB 0.247 31.854 31.700 -0.154 0.000 0.784 494 A N 0.057 122.834 122.820 -0.071 0.000 1.842 494 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 494 A C 2.214 179.790 177.584 -0.014 0.000 1.206 494 A CA 1.799 53.804 52.037 -0.054 0.000 0.630 494 A CB -2.129 16.859 19.000 -0.020 0.000 0.839 494 A HN 0.311 nan 8.150 nan 0.000 0.447 495 W N 0.855 122.076 121.300 -0.131 0.000 2.321 495 W HA -0.208 4.452 4.660 -0.000 0.000 0.306 495 W C 2.173 178.578 176.519 -0.191 0.000 1.217 495 W CA 2.426 59.708 57.345 -0.104 0.000 1.257 495 W CB -0.503 28.935 29.460 -0.037 0.000 1.145 495 W HN 0.456 nan 8.180 nan 0.000 0.509 496 A N 0.989 123.659 122.820 -0.250 0.000 2.032 496 A HA -0.214 4.106 4.320 -0.000 0.000 0.221 496 A C 1.980 179.319 177.584 -0.407 0.000 1.165 496 A CA 2.000 53.587 52.037 -0.750 0.000 0.645 496 A CB -0.867 17.846 19.000 -0.478 0.000 0.807 496 A HN 0.442 nan 8.150 nan 0.000 0.453 497 M N -0.279 119.148 119.600 -0.289 0.000 2.494 497 M HA 0.078 4.558 4.480 -0.000 0.000 0.232 497 M C 0.721 176.756 176.300 -0.442 0.000 1.137 497 M CA 0.076 55.210 55.300 -0.276 0.000 1.012 497 M CB -0.048 32.418 32.600 -0.222 0.000 1.567 497 M HN 0.333 nan 8.290 nan 0.000 0.486 498 N N 0.130 118.430 118.700 -0.666 0.000 2.398 498 N HA 0.106 4.846 4.740 -0.000 0.000 0.188 498 N C -0.477 174.188 175.510 -1.409 0.000 1.122 498 N CA 0.544 52.855 53.050 -1.231 0.000 0.866 498 N CB 0.479 37.918 38.487 -1.747 0.000 0.970 498 N HN 0.197 nan 8.380 nan 0.000 0.462 499 F N 0.645 120.233 119.950 -0.603 0.000 2.450 499 F HA 0.512 5.039 4.527 -0.000 0.000 0.332 499 F C 0.376 176.073 175.800 -0.171 0.000 1.093 499 F CA -1.118 56.714 58.000 -0.280 0.000 1.003 499 F CB 1.375 40.381 39.000 0.010 0.000 1.151 499 F HN -0.221 nan 8.300 nan 0.000 0.474 500 A N 2.897 125.750 122.820 0.055 0.000 2.276 500 A HA 0.742 5.062 4.320 -0.000 0.000 0.316 500 A C -1.126 176.504 177.584 0.078 0.000 1.229 500 A CA -0.575 51.479 52.037 0.029 0.000 0.851 500 A CB 0.498 19.485 19.000 -0.021 0.000 1.165 500 A HN 0.536 nan 8.150 nan 0.000 0.513 501 V N 2.630 122.577 119.914 0.054 0.000 2.495 501 V HA 0.631 4.751 4.120 -0.000 0.000 0.298 501 V C 0.298 176.384 176.094 -0.013 0.000 1.031 501 V CA -0.436 61.873 62.300 0.014 0.000 0.871 501 V CB 1.602 33.434 31.823 0.015 0.000 0.988 501 V HN 1.022 nan 8.190 nan 0.000 0.432 502 S N 5.383 121.064 115.700 -0.032 0.000 2.501 502 S HA 0.912 5.382 4.470 -0.000 0.000 0.301 502 S C -1.007 173.558 174.600 -0.058 0.000 1.096 502 S CA -0.743 57.445 58.200 -0.021 0.000 1.063 502 S CB 1.475 64.681 63.200 0.010 0.000 1.042 502 S HN 0.522 nan 8.310 nan 0.000 0.494 503 L N 1.761 122.946 121.223 -0.064 0.000 2.436 503 L HA 0.530 4.870 4.340 -0.000 0.000 0.268 503 L C -0.258 176.602 176.870 -0.018 0.000 0.974 503 L CA -0.784 54.017 54.840 -0.066 0.000 0.826 503 L CB 2.114 44.068 42.059 -0.175 0.000 1.291 503 L HN 0.705 nan 8.230 nan 0.000 0.406 504 K N 3.311 123.731 120.400 0.033 0.000 2.294 504 K HA 0.210 4.530 4.320 -0.000 0.000 0.288 504 K C -0.893 175.746 176.600 0.065 0.000 1.072 504 K CA 0.313 56.620 56.287 0.035 0.000 0.960 504 K CB 0.267 32.783 32.500 0.027 0.000 1.043 504 K HN 0.421 nan 8.250 nan 0.000 0.455 505 E N 5.008 125.220 120.200 0.020 0.000 2.558 505 E HA 0.155 4.505 4.350 -0.000 0.000 0.345 505 E C -2.696 173.870 176.600 -0.055 0.000 0.928 505 E CA -2.070 54.336 56.400 0.010 0.000 0.774 505 E CB 1.271 30.932 29.700 -0.065 0.000 1.462 505 E HN 0.457 nan 8.360 nan 0.000 0.387 506 P HA -0.038 nan 4.420 nan 0.000 0.261 506 P C 0.473 177.662 177.300 -0.185 0.000 1.158 506 P CA 0.506 63.544 63.100 -0.103 0.000 0.758 506 P CB 0.481 32.133 31.700 -0.081 0.000 0.763 507 I N 5.476 125.907 120.570 -0.232 0.000 2.683 507 I HA -0.008 4.162 4.170 -0.000 0.000 0.286 507 I C -1.508 174.391 176.117 -0.363 0.000 1.175 507 I CA -1.554 59.526 61.300 -0.367 0.000 1.429 507 I CB -0.351 37.502 38.000 -0.245 0.000 1.371 507 I HN 0.202 nan 8.210 nan 0.000 0.569 508 P HA -0.041 nan 4.420 nan 0.000 0.264 508 P C -0.951 176.234 177.300 -0.191 0.000 1.183 508 P CA 0.169 63.053 63.100 -0.359 0.000 0.763 508 P CB 0.349 31.818 31.700 -0.385 0.000 0.807 509 D N 3.149 123.476 120.400 -0.122 0.000 2.414 509 D HA 0.352 4.992 4.640 -0.000 0.000 0.232 509 D C -2.307 173.980 176.300 -0.022 0.000 1.070 509 D CA -2.046 51.932 54.000 -0.037 0.000 0.839 509 D CB 0.245 41.030 40.800 -0.025 0.000 1.079 509 D HN 0.130 nan 8.370 nan 0.000 0.521 510 P HA 0.356 nan 4.420 nan 0.000 0.284 510 P C -2.349 174.936 177.300 -0.025 0.000 1.258 510 P CA -1.747 61.393 63.100 0.068 0.000 0.824 510 P CB 0.719 32.537 31.700 0.197 0.000 1.038 511 P HA -0.050 nan 4.420 nan 0.000 0.285 511 P C 0.499 177.829 177.300 0.049 0.000 1.521 511 P CA 0.004 63.170 63.100 0.109 0.000 0.792 511 P CB -0.381 31.485 31.700 0.277 0.000 1.613 512 V N 2.332 122.033 119.914 -0.355 0.000 2.814 512 V HA -0.088 4.032 4.120 -0.000 0.000 0.298 512 V C -1.770 174.191 176.094 -0.221 0.000 1.195 512 V CA -0.334 61.573 62.300 -0.655 0.000 1.323 512 V CB -0.474 31.201 31.823 -0.247 0.000 0.842 512 V HN 0.163 nan 8.190 nan 0.000 0.494 513 P HA 0.173 nan 4.420 nan 0.000 0.225 513 P C -0.281 176.902 177.300 -0.195 0.000 1.768 513 P CA -0.178 62.791 63.100 -0.219 0.000 0.943 513 P CB -0.200 31.413 31.700 -0.146 0.000 1.936 514 D N 0.538 120.817 120.400 -0.201 0.000 2.443 514 D HA -0.010 4.630 4.640 -0.000 0.000 0.239 514 D C 1.753 177.882 176.300 -0.284 0.000 1.136 514 D CA -0.096 53.664 54.000 -0.399 0.000 0.879 514 D CB 0.508 40.708 40.800 -0.999 0.000 1.195 514 D HN 0.023 nan 8.370 nan 0.000 0.443 515 I N 2.046 122.465 120.570 -0.252 0.000 2.161 515 I HA -0.431 3.739 4.170 -0.000 0.000 0.246 515 I C 2.333 178.382 176.117 -0.114 0.000 1.048 515 I CA 1.940 63.150 61.300 -0.149 0.000 1.314 515 I CB -0.563 37.379 38.000 -0.097 0.000 1.014 515 I HN 0.580 nan 8.210 nan 0.000 0.418 516 S N 0.652 116.310 115.700 -0.069 0.000 2.407 516 S HA -0.244 4.226 4.470 -0.000 0.000 0.235 516 S C 1.811 176.442 174.600 0.051 0.000 1.036 516 S CA 1.829 60.099 58.200 0.116 0.000 1.013 516 S CB -0.481 62.966 63.200 0.413 0.000 0.820 516 S HN 0.495 nan 8.310 nan 0.000 0.476 517 L N 0.273 121.418 121.223 -0.131 0.000 2.349 517 L HA 0.488 4.828 4.340 -0.000 0.000 0.200 517 L C 0.578 177.226 176.870 -0.370 0.000 1.064 517 L CA 0.697 55.294 54.840 -0.405 0.000 0.821 517 L CB -0.066 41.329 42.059 -1.107 0.000 1.027 517 L HN 0.403 nan 8.230 nan 0.000 0.476 518 C N 1.306 120.452 119.300 -0.257 0.000 2.185 518 C HA 0.439 4.899 4.460 -0.000 0.000 0.357 518 C C 1.594 176.511 174.990 -0.122 0.000 1.053 518 C CA -0.439 58.503 59.018 -0.126 0.000 1.552 518 C CB -0.866 26.903 27.740 0.048 0.000 1.679 518 C HN 0.499 nan 8.230 nan 0.000 0.453 519 R N 0.903 121.216 120.500 -0.312 0.000 2.076 519 R HA 0.305 4.645 4.340 -0.000 0.000 0.203 519 R C 0.071 176.441 176.300 0.116 0.000 1.229 519 R CA -0.052 55.978 56.100 -0.118 0.000 1.094 519 R CB -0.068 30.141 30.300 -0.152 0.000 0.991 519 R HN 0.542 nan 8.270 nan 0.000 0.471 520 F N 1.697 121.725 119.950 0.130 0.000 2.635 520 F HA -0.206 4.321 4.527 -0.000 0.000 0.228 520 F C -0.458 175.543 175.800 0.334 0.000 1.029 520 F CA -0.209 57.844 58.000 0.088 0.000 0.907 520 F CB -0.937 38.005 39.000 -0.098 0.000 0.893 520 F HN 0.114 nan 8.300 nan 0.000 0.845 521 I N 2.020 122.822 120.570 0.386 0.000 2.352 521 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 521 I C 1.341 177.467 176.117 0.015 0.000 1.036 521 I CA 0.719 62.038 61.300 0.033 0.000 1.336 521 I CB 0.592 38.528 38.000 -0.107 0.000 1.407 521 I HN 0.646 nan 8.210 nan 0.000 0.497 522 G N 5.503 114.112 108.800 -0.318 0.000 2.147 522 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 522 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 522 G C 0.821 175.662 174.900 -0.099 0.000 1.005 522 G CA 0.303 45.246 45.100 -0.260 0.000 0.713 522 G HN 0.573 nan 8.290 nan 0.000 0.515 523 L N -0.403 120.791 121.223 -0.048 0.000 2.265 523 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 523 L C 2.598 179.444 176.870 -0.039 0.000 1.117 523 L CA 2.601 57.449 54.840 0.012 0.000 0.782 523 L CB -0.371 41.656 42.059 -0.054 0.000 0.914 523 L HN 0.409 nan 8.230 nan 0.000 0.441 524 R N -1.754 118.689 120.500 -0.095 0.000 2.062 524 R HA -0.044 4.296 4.340 -0.000 0.000 0.229 524 R C 2.146 178.399 176.300 -0.078 0.000 1.128 524 R CA 1.447 57.507 56.100 -0.068 0.000 0.960 524 R CB -0.399 29.858 30.300 -0.072 0.000 0.855 524 R HN 0.253 nan 8.270 nan 0.000 0.432 525 V N 1.206 121.048 119.914 -0.121 0.000 2.407 525 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 525 V C 2.143 178.198 176.094 -0.064 0.000 1.055 525 V CA 1.618 63.853 62.300 -0.108 0.000 1.049 525 V CB -0.452 31.280 31.823 -0.152 0.000 0.662 525 V HN 0.270 nan 8.190 nan 0.000 0.455 526 E N 0.870 121.049 120.200 -0.035 0.000 2.118 526 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 526 E C 2.583 179.185 176.600 0.003 0.000 0.992 526 E CA 1.817 58.222 56.400 0.009 0.000 0.804 526 E CB -0.372 29.397 29.700 0.115 0.000 0.741 526 E HN 0.789 nan 8.360 nan 0.000 0.458 527 S N -0.566 115.130 115.700 -0.006 0.000 2.357 527 S HA -0.023 4.447 4.470 -0.000 0.000 0.221 527 S C 2.328 176.936 174.600 0.012 0.000 1.031 527 S CA 1.316 59.520 58.200 0.007 0.000 0.982 527 S CB -0.209 62.993 63.200 0.003 0.000 0.853 527 S HN 0.020 nan 8.310 nan 0.000 0.458 528 S N 0.754 116.450 115.700 -0.006 0.000 2.406 528 S HA 0.087 4.557 4.470 -0.000 0.000 0.228 528 S C 1.855 176.450 174.600 -0.008 0.000 1.020 528 S CA 0.809 59.005 58.200 -0.006 0.000 0.965 528 S CB -0.497 62.691 63.200 -0.020 0.000 0.798 528 S HN 0.411 nan 8.310 nan 0.000 0.488 529 V N 2.048 121.952 119.914 -0.017 0.000 2.324 529 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 529 V C 2.273 178.363 176.094 -0.006 0.000 1.060 529 V CA 1.540 63.829 62.300 -0.018 0.000 1.042 529 V CB -0.617 31.188 31.823 -0.030 0.000 0.650 529 V HN 0.372 nan 8.190 nan 0.000 0.450 530 L N 0.391 121.616 121.223 0.004 0.000 1.963 530 L HA -0.246 4.094 4.340 -0.000 0.000 0.220 530 L C 2.614 179.505 176.870 0.035 0.000 1.076 530 L CA 2.561 57.413 54.840 0.021 0.000 0.772 530 L CB -0.914 41.175 42.059 0.050 0.000 0.892 530 L HN 0.266 nan 8.230 nan 0.000 0.435 531 R N -0.967 119.558 120.500 0.042 0.000 2.159 531 R HA -0.128 4.212 4.340 -0.000 0.000 0.237 531 R C 1.925 178.237 176.300 0.018 0.000 1.131 531 R CA 1.618 57.741 56.100 0.038 0.000 0.982 531 R CB -0.177 30.141 30.300 0.030 0.000 0.868 531 R HN 0.519 nan 8.270 nan 0.000 0.453 532 V N -3.147 116.772 119.914 0.008 0.000 3.506 532 V HA 0.188 4.308 4.120 -0.000 0.000 0.263 532 V C 1.678 177.771 176.094 -0.001 0.000 1.203 532 V CA 0.576 62.876 62.300 0.000 0.000 1.133 532 V CB -0.097 31.722 31.823 -0.006 0.000 0.802 532 V HN 0.194 nan 8.190 nan 0.000 0.459 533 R N 0.208 120.708 120.500 0.000 0.000 2.194 533 R HA 0.331 4.671 4.340 -0.000 0.000 0.194 533 R C 0.190 176.489 176.300 -0.000 0.000 0.985 533 R CA 0.614 56.712 56.100 -0.004 0.000 1.104 533 R CB 0.268 30.562 30.300 -0.010 0.000 1.092 533 R HN 0.496 nan 8.270 nan 0.000 0.555 534 N N 1.019 119.724 118.700 0.008 0.000 2.675 534 N HA 0.187 4.927 4.740 -0.000 0.000 0.254 534 N C -2.606 172.933 175.510 0.048 0.000 1.224 534 N CA -1.396 51.664 53.050 0.016 0.000 0.777 534 N CB 1.551 40.039 38.487 0.002 0.000 1.256 534 N HN -0.085 nan 8.380 nan 0.000 0.531 535 P HA 0.398 nan 4.420 nan 0.000 0.343 535 P C -0.306 177.030 177.300 0.061 0.000 1.358 535 P CA -0.081 63.053 63.100 0.057 0.000 0.802 535 P CB 0.740 32.455 31.700 0.026 0.000 1.886 551 L N 1.027 122.286 121.223 0.060 0.000 2.171 551 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 551 L C 2.254 179.182 176.870 0.096 0.000 1.084 551 L CA 2.213 57.080 54.840 0.045 0.000 0.771 551 L CB -0.427 41.612 42.059 -0.033 0.000 0.890 551 L HN 0.318 nan 8.230 nan 0.000 0.437 552 S N -1.021 114.724 115.700 0.075 0.000 2.344 552 S HA -0.153 4.317 4.470 -0.000 0.000 0.217 552 S C 2.041 176.709 174.600 0.114 0.000 1.033 552 S CA 0.982 59.231 58.200 0.083 0.000 1.017 552 S CB -1.445 61.779 63.200 0.040 0.000 0.941 552 S HN 0.453 nan 8.310 nan 0.000 0.430 553 G N 1.783 110.636 108.800 0.089 0.000 2.422 553 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 553 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 553 G C 1.483 176.485 174.900 0.170 0.000 1.146 553 G CA 1.048 46.213 45.100 0.108 0.000 0.769 553 G HN 0.722 nan 8.290 nan 0.000 0.547 554 H N 0.510 119.593 119.070 0.022 0.000 2.394 554 H HA -0.123 4.433 4.556 -0.000 0.000 0.297 554 H C 2.314 177.556 175.328 -0.144 0.000 1.113 554 H CA 1.669 57.681 56.048 -0.059 0.000 1.277 554 H CB -0.248 29.481 29.762 -0.055 0.000 1.370 554 H HN 0.303 nan 8.280 nan 0.000 0.506 555 L N 0.258 121.631 121.223 0.250 0.000 2.131 555 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 555 L C 2.490 179.361 176.870 0.001 0.000 1.087 555 L CA 1.703 56.587 54.840 0.072 0.000 0.767 555 L CB -1.229 40.921 42.059 0.152 0.000 0.917 555 L HN 0.273 nan 8.230 nan 0.000 0.441 556 Y N -0.722 119.566 120.300 -0.019 0.000 2.224 556 Y HA -0.188 4.362 4.550 -0.000 0.000 0.289 556 Y C 1.993 177.895 175.900 0.002 0.000 1.146 556 Y CA 2.095 60.207 58.100 0.020 0.000 1.182 556 Y CB -0.415 38.080 38.460 0.058 0.000 0.983 556 Y HN 0.045 nan 8.280 nan 0.000 0.524 557 V N 0.272 120.163 119.914 -0.038 0.000 2.221 557 V HA -0.332 3.788 4.120 -0.000 0.000 0.242 557 V C 2.386 178.371 176.094 -0.182 0.000 1.041 557 V CA 2.651 64.861 62.300 -0.150 0.000 0.995 557 V CB -1.674 30.088 31.823 -0.102 0.000 0.635 557 V HN 0.574 nan 8.190 nan 0.000 0.448 558 T N 0.570 114.965 114.554 -0.264 0.000 2.824 558 T HA -0.335 4.015 4.350 -0.000 0.000 0.259 558 T C 1.654 176.288 174.700 -0.110 0.000 1.024 558 T CA 2.503 64.468 62.100 -0.225 0.000 1.164 558 T CB -0.671 67.952 68.868 -0.408 0.000 0.836 558 T HN 0.384 nan 8.240 nan 0.000 0.485 559 L N -1.397 119.710 121.223 -0.192 0.000 2.189 559 L HA 0.292 4.632 4.340 -0.000 0.000 0.199 559 L C 2.710 179.599 176.870 0.031 0.000 1.074 559 L CA 0.386 55.112 54.840 -0.191 0.000 0.783 559 L CB -0.453 41.285 42.059 -0.536 0.000 0.955 559 L HN 0.062 nan 8.230 nan 0.000 0.460 560 M N 0.492 120.061 119.600 -0.052 0.000 2.106 560 M HA -0.212 4.268 4.480 -0.000 0.000 0.259 560 M C 2.601 178.859 176.300 -0.070 0.000 1.068 560 M CA 2.170 57.395 55.300 -0.125 0.000 1.100 560 M CB -0.644 31.658 32.600 -0.498 0.000 1.351 560 M HN 0.407 nan 8.290 nan 0.000 0.404 561 S N -1.015 114.656 115.700 -0.049 0.000 2.402 561 S HA 0.057 4.527 4.470 -0.000 0.000 0.229 561 S C 1.708 176.294 174.600 -0.024 0.000 1.021 561 S CA 0.621 58.816 58.200 -0.008 0.000 0.974 561 S CB -1.485 61.768 63.200 0.089 0.000 0.800 561 S HN 0.720 nan 8.310 nan 0.000 0.484 562 G N 1.367 110.164 108.800 -0.005 0.000 2.450 562 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.302 562 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.302 562 G C 0.670 175.501 174.900 -0.115 0.000 0.957 562 G CA 0.510 45.587 45.100 -0.038 0.000 1.005 562 G HN 1.159 nan 8.290 nan 0.000 0.514 563 A N -1.264 121.460 122.820 -0.161 0.000 2.115 563 A HA 0.592 4.912 4.320 -0.000 0.000 0.211 563 A C 0.587 177.794 177.584 -0.628 0.000 1.169 563 A CA 0.675 52.422 52.037 -0.483 0.000 0.787 563 A CB 0.400 18.957 19.000 -0.738 0.000 0.858 563 A HN 0.600 nan 8.150 nan 0.000 0.474 564 Y N -1.495 118.748 120.300 -0.096 0.000 2.446 564 Y HA 0.565 5.115 4.550 -0.000 0.000 0.345 564 Y C -0.502 175.322 175.900 -0.126 0.000 0.984 564 Y CA -1.090 56.949 58.100 -0.101 0.000 1.058 564 Y CB 2.198 40.661 38.460 0.005 0.000 1.220 564 Y HN -0.193 nan 8.280 nan 0.000 0.455 565 V N 2.597 122.504 119.914 -0.012 0.000 2.340 565 V HA 0.432 4.552 4.120 -0.000 0.000 0.277 565 V C -0.300 175.735 176.094 -0.098 0.000 1.017 565 V CA -0.394 61.867 62.300 -0.064 0.000 0.820 565 V CB 1.252 33.026 31.823 -0.081 0.000 1.028 565 V HN 0.908 nan 8.190 nan 0.000 0.436 566 T N 1.577 116.055 114.554 -0.127 0.000 2.907 566 T HA 0.332 4.682 4.350 -0.000 0.000 0.290 566 T C -0.923 173.694 174.700 -0.138 0.000 1.066 566 T CA -0.496 61.498 62.100 -0.177 0.000 1.012 566 T CB 1.895 70.599 68.868 -0.274 0.000 1.184 566 T HN 0.682 nan 8.240 nan 0.000 0.522 567 D N 3.532 123.883 120.400 -0.082 0.000 2.435 567 D HA 0.114 4.754 4.640 -0.000 0.000 0.230 567 D C 1.692 177.986 176.300 -0.008 0.000 1.215 567 D CA -0.085 53.939 54.000 0.039 0.000 0.947 567 D CB 0.253 41.197 40.800 0.241 0.000 1.048 567 D HN 0.485 nan 8.370 nan 0.000 0.512 568 L N 3.498 124.590 121.223 -0.217 0.000 1.980 568 L HA -0.310 4.030 4.340 -0.000 0.000 0.232 568 L C 2.166 178.859 176.870 -0.294 0.000 1.092 568 L CA 1.660 56.161 54.840 -0.565 0.000 0.808 568 L CB -0.524 40.955 42.059 -0.967 0.000 0.908 568 L HN 0.490 nan 8.230 nan 0.000 0.442 569 F N -0.695 119.253 119.950 -0.003 0.000 2.054 569 F HA -0.433 4.094 4.527 -0.000 0.000 0.294 569 F C 2.417 178.514 175.800 0.494 0.000 1.126 569 F CA 2.286 60.598 58.000 0.520 0.000 1.226 569 F CB -0.542 38.796 39.000 0.563 0.000 0.947 569 F HN 0.403 nan 8.300 nan 0.000 0.509 570 W N 0.250 121.838 121.300 0.480 0.000 2.333 570 W HA -0.273 4.387 4.660 -0.000 0.000 0.316 570 W C 2.117 178.813 176.519 0.296 0.000 1.215 570 W CA 1.492 59.023 57.345 0.310 0.000 1.278 570 W CB -1.657 27.920 29.460 0.196 0.000 1.154 570 W HN 0.434 nan 8.180 nan 0.000 0.486 571 W N 0.867 122.095 121.300 -0.120 0.000 2.301 571 W HA -0.332 4.328 4.660 -0.000 0.000 0.325 571 W C 2.349 178.868 176.519 0.001 0.000 1.250 571 W CA 3.472 60.658 57.345 -0.265 0.000 1.261 571 W CB -1.351 27.896 29.460 -0.354 0.000 1.157 571 W HN -0.084 nan 8.180 nan 0.000 0.473 572 F N 0.924 121.013 119.950 0.232 0.000 2.021 572 F HA -0.331 4.196 4.527 0.000 0.000 0.297 572 F C 2.609 178.425 175.800 0.027 0.000 1.152 572 F CA 2.487 60.501 58.000 0.024 0.000 1.201 572 F CB -1.757 37.354 39.000 0.186 0.000 0.951 572 F HN -0.118 nan 8.300 nan 0.000 0.504 573 K N -0.114 120.583 120.400 0.494 0.000 2.286 573 K HA -0.260 4.060 4.320 -0.000 0.000 0.203 573 K C 1.881 178.663 176.600 0.304 0.000 1.045 573 K CA 1.758 58.281 56.287 0.393 0.000 0.935 573 K CB -0.182 32.594 32.500 0.459 0.000 0.737 573 K HN 0.355 nan 8.250 nan 0.000 0.460 574 M N -0.447 119.308 119.600 0.259 0.000 2.200 574 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 574 M C 1.459 177.866 176.300 0.178 0.000 1.066 574 M CA 1.459 56.886 55.300 0.212 0.000 1.127 574 M CB -0.382 32.265 32.600 0.079 0.000 1.379 574 M HN -0.086 nan 8.290 nan 0.000 0.420 575 I N 1.075 121.609 120.570 -0.062 0.000 2.060 575 I HA -0.234 3.936 4.170 -0.000 0.000 0.233 575 I C 2.560 178.686 176.117 0.016 0.000 1.054 575 I CA 1.731 62.962 61.300 -0.115 0.000 1.318 575 I CB -1.450 36.348 38.000 -0.338 0.000 1.054 575 I HN 0.424 nan 8.210 nan 0.000 0.395 576 L N -0.122 121.117 121.223 0.025 0.000 2.072 576 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 576 L C 2.078 178.989 176.870 0.068 0.000 1.079 576 L CA 1.228 56.086 54.840 0.030 0.000 0.752 576 L CB -0.783 41.291 42.059 0.025 0.000 0.906 576 L HN 0.191 nan 8.230 nan 0.000 0.436 577 D N -1.266 119.214 120.400 0.133 0.000 2.234 577 D HA -0.142 4.498 4.640 -0.000 0.000 0.205 577 D C 1.783 178.211 176.300 0.213 0.000 0.962 577 D CA 0.989 55.085 54.000 0.159 0.000 0.855 577 D CB 0.159 41.076 40.800 0.194 0.000 0.951 577 D HN 0.443 nan 8.370 nan 0.000 0.500 578 W N 0.820 122.144 121.300 0.041 0.000 2.952 578 W HA 0.087 4.747 4.660 -0.000 0.000 0.251 578 W C -0.034 176.502 176.519 0.028 0.000 1.144 578 W CA 0.417 57.793 57.345 0.050 0.000 1.551 578 W CB 0.629 30.143 29.460 0.091 0.000 0.978 578 W HN -0.192 nan 8.180 nan 0.000 0.648 579 S N 0.671 116.396 115.700 0.041 0.000 2.789 579 S HA 0.780 5.250 4.470 -0.000 0.000 0.286 579 S C -0.488 174.058 174.600 -0.091 0.000 1.153 579 S CA -0.591 57.539 58.200 -0.115 0.000 1.084 579 S CB 0.917 64.191 63.200 0.123 0.000 1.036 579 S HN 0.306 nan 8.310 nan 0.000 0.484 580 A N 2.818 125.557 122.820 -0.134 0.000 2.257 580 A HA 0.816 5.136 4.320 -0.000 0.000 0.290 580 A C 0.609 178.095 177.584 -0.163 0.000 1.201 580 A CA -0.175 51.743 52.037 -0.198 0.000 0.863 580 A CB -0.052 18.849 19.000 -0.165 0.000 1.256 580 A HN 1.116 nan 8.150 nan 0.000 0.506 581 Q N -1.543 118.153 119.800 -0.172 0.000 0.968 581 Q HA -0.179 4.161 4.340 -0.000 0.000 0.349 581 Q C -0.924 174.943 176.000 -0.223 0.000 1.042 581 Q CA 1.544 57.208 55.803 -0.232 0.000 0.517 581 Q CB -0.500 28.006 28.738 -0.386 0.000 5.043 581 Q HN 0.907 nan 8.270 nan 0.000 0.448 582 N N 0.303 118.849 118.700 -0.256 0.000 2.371 582 N HA 0.209 4.949 4.740 -0.000 0.000 0.291 582 N C -0.037 175.385 175.510 -0.147 0.000 1.053 582 N CA -0.071 52.877 53.050 -0.169 0.000 0.870 582 N CB 1.564 39.983 38.487 -0.113 0.000 1.503 582 N HN 0.541 nan 8.380 nan 0.000 0.485 583 R N 1.661 122.099 120.500 -0.104 0.000 2.134 583 R HA -0.211 4.129 4.340 -0.000 0.000 0.248 583 R C 1.254 177.570 176.300 0.027 0.000 1.143 583 R CA 1.794 57.878 56.100 -0.027 0.000 0.957 583 R CB 0.101 30.375 30.300 -0.043 0.000 0.867 583 R HN 0.532 nan 8.270 nan 0.000 0.441 584 E N 0.494 120.692 120.200 -0.003 0.000 2.001 584 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 584 E C 2.054 178.664 176.600 0.016 0.000 1.002 584 E CA 1.540 57.948 56.400 0.014 0.000 0.819 584 E CB -0.315 29.384 29.700 -0.002 0.000 0.769 584 E HN 0.425 nan 8.360 nan 0.000 0.454 585 Q N 0.345 120.135 119.800 -0.016 0.000 2.488 585 Q HA -0.081 4.259 4.340 -0.000 0.000 0.211 585 Q C 0.709 176.704 176.000 -0.008 0.000 0.967 585 Q CA 0.760 56.554 55.803 -0.014 0.000 0.926 585 Q CB 0.065 28.780 28.738 -0.039 0.000 0.992 585 Q HN 0.076 nan 8.270 nan 0.000 0.506 586 K N 0.013 120.397 120.400 -0.027 0.000 3.174 586 K HA 0.211 4.531 4.320 -0.000 0.000 0.207 586 K C -0.538 176.201 176.600 0.233 0.000 1.190 586 K CA -0.098 56.187 56.287 -0.003 0.000 1.054 586 K CB 0.435 32.622 32.500 -0.520 0.000 1.154 586 K HN 0.069 nan 8.250 nan 0.000 0.495 587 L N -3.360 117.980 121.223 0.196 0.000 5.241 587 L HA 0.318 4.658 4.340 -0.000 0.000 0.532 587 L C 0.140 177.079 176.870 0.115 0.000 0.806 587 L CA -0.297 54.653 54.840 0.183 0.000 2.131 587 L CB -1.451 40.719 42.059 0.185 0.000 1.673 587 L HN 0.379 nan 8.230 nan 0.000 0.564 588 R N 1.838 122.398 120.500 0.101 0.000 3.682 588 R HA -0.318 4.022 4.340 -0.000 0.000 0.519 588 R C 0.671 177.063 176.300 0.153 0.000 0.241 588 R CA 2.780 58.948 56.100 0.112 0.000 1.619 588 R CB -1.156 29.204 30.300 0.100 0.000 0.923 588 R HN 0.761 nan 8.270 nan 0.000 0.598 589 D N 0.759 121.288 120.400 0.216 0.000 2.407 589 D HA -0.064 4.576 4.640 -0.000 0.000 0.234 589 D C 1.466 177.920 176.300 0.256 0.000 1.029 589 D CA 0.851 55.005 54.000 0.256 0.000 0.937 589 D CB -0.004 40.992 40.800 0.326 0.000 0.882 589 D HN 0.294 nan 8.370 nan 0.000 0.531 590 L N -0.096 121.264 121.223 0.228 0.000 2.116 590 L HA 0.065 4.405 4.340 -0.000 0.000 0.200 590 L C 2.204 179.138 176.870 0.106 0.000 1.084 590 L CA 0.807 55.732 54.840 0.141 0.000 0.766 590 L CB -1.032 41.084 42.059 0.094 0.000 0.930 590 L HN -0.095 nan 8.230 nan 0.000 0.453 591 K N 0.177 120.629 120.400 0.085 0.000 2.203 591 K HA -0.413 3.907 4.320 -0.000 0.000 0.206 591 K C 1.606 178.244 176.600 0.063 0.000 0.722 591 K CA 3.195 59.519 56.287 0.061 0.000 1.026 591 K CB -0.187 32.348 32.500 0.058 0.000 0.713 591 K HN 0.368 nan 8.250 nan 0.000 0.773 592 R N -4.915 115.625 120.500 0.068 0.000 1.171 592 R HA -0.101 4.239 4.340 -0.000 0.000 0.014 592 R C 1.190 177.536 176.300 0.076 0.000 0.961 592 R CA 1.790 57.931 56.100 0.069 0.000 1.989 592 R CB -1.812 28.537 30.300 0.081 0.000 0.127 592 R HN 0.223 nan 8.270 nan 0.000 0.732 593 S N 1.016 116.786 115.700 0.116 0.000 2.671 593 S HA 0.477 4.947 4.470 -0.000 0.000 0.220 593 S C 0.796 175.571 174.600 0.291 0.000 0.951 593 S CA 0.820 59.115 58.200 0.157 0.000 0.932 593 S CB 0.640 63.965 63.200 0.208 0.000 0.777 593 S HN 1.178 nan 8.310 nan 0.000 0.508 594 A N 0.500 123.437 122.820 0.195 0.000 2.750 594 A HA -0.172 4.148 4.320 -0.000 0.000 0.298 594 A C 0.824 178.542 177.584 0.223 0.000 1.500 594 A CA 0.766 52.919 52.037 0.193 0.000 0.891 594 A CB -2.224 16.884 19.000 0.181 0.000 0.972 594 A HN 0.801 nan 8.150 nan 0.000 0.531 595 A N -0.508 122.407 122.820 0.157 0.000 2.267 595 A HA 0.670 4.990 4.320 -0.000 0.000 0.271 595 A C 0.462 177.893 177.584 -0.254 0.000 1.131 595 A CA 0.455 52.370 52.037 -0.203 0.000 0.818 595 A CB 0.273 19.200 19.000 -0.122 0.000 1.118 595 A HN 1.478 nan 8.150 nan 0.000 0.501 596 E N -1.870 118.104 120.200 -0.376 0.000 2.409 596 E HA 0.589 4.939 4.350 -0.000 0.000 0.280 596 E C -1.727 174.732 176.600 -0.235 0.000 1.079 596 E CA -0.818 55.434 56.400 -0.246 0.000 0.840 596 E CB 1.287 30.891 29.700 -0.159 0.000 1.309 596 E HN 0.540 nan 8.360 nan 0.000 0.447 597 V N 0.709 120.514 119.914 -0.181 0.000 3.158 597 V HA 0.491 4.611 4.120 -0.000 0.000 0.311 597 V C -0.347 175.706 176.094 -0.068 0.000 1.181 597 V CA -0.614 61.599 62.300 -0.145 0.000 1.054 597 V CB 1.993 33.696 31.823 -0.200 0.000 1.085 597 V HN 0.797 nan 8.190 nan 0.000 0.446 598 I N -0.154 120.402 120.570 -0.024 0.000 4.770 598 I HA 0.268 4.438 4.170 -0.000 0.000 0.327 598 I C 0.465 176.576 176.117 -0.009 0.000 1.271 598 I CA -0.039 61.283 61.300 0.037 0.000 1.320 598 I CB 0.342 38.443 38.000 0.169 0.000 1.319 598 I HN 0.628 nan 8.210 nan 0.000 0.462 599 E N 2.388 122.526 120.200 -0.102 0.000 2.174 599 E HA 0.167 4.517 4.350 -0.000 0.000 0.282 599 E C -1.525 175.224 176.600 0.247 0.000 0.992 599 E CA -0.502 55.821 56.400 -0.128 0.000 0.803 599 E CB 1.848 31.267 29.700 -0.468 0.000 1.090 599 E HN 0.356 nan 8.360 nan 0.000 0.396 612 R N 1.924 122.410 120.500 -0.024 0.000 2.120 612 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 612 R C 1.913 178.203 176.300 -0.015 0.000 1.123 612 R CA 2.177 58.260 56.100 -0.028 0.000 0.975 612 R CB -0.197 30.084 30.300 -0.032 0.000 0.866 612 R HN 0.840 nan 8.270 nan 0.000 0.446 613 N N 0.373 119.067 118.700 -0.009 0.000 2.309 613 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 613 N C 0.734 176.248 175.510 0.008 0.000 1.018 613 N CA 1.391 54.440 53.050 -0.002 0.000 0.876 613 N CB -0.155 38.329 38.487 -0.005 0.000 0.972 613 N HN 0.194 nan 8.380 nan 0.000 0.434 614 D N 0.684 121.090 120.400 0.011 0.000 2.084 614 D HA -0.016 4.624 4.640 -0.000 0.000 0.199 614 D C 1.921 178.252 176.300 0.051 0.000 0.981 614 D CA 0.900 54.914 54.000 0.024 0.000 0.841 614 D CB -0.264 40.549 40.800 0.023 0.000 0.997 614 D HN 0.152 nan 8.370 nan 0.000 0.454 615 L N 0.651 121.915 121.223 0.068 0.000 2.042 615 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 615 L C 2.499 179.431 176.870 0.104 0.000 1.076 615 L CA 0.865 55.781 54.840 0.127 0.000 0.749 615 L CB -1.052 41.112 42.059 0.174 0.000 0.893 615 L HN 0.161 nan 8.230 nan 0.000 0.432 616 I N -1.146 119.457 120.570 0.055 0.000 2.530 616 I HA -0.149 4.021 4.170 -0.000 0.000 0.257 616 I C 2.547 178.701 176.117 0.061 0.000 1.179 616 I CA 1.595 62.924 61.300 0.048 0.000 1.440 616 I CB -0.709 37.302 38.000 0.019 0.000 1.087 616 I HN 0.064 nan 8.210 nan 0.000 0.440 617 A N 1.225 124.078 122.820 0.056 0.000 1.897 617 A HA 0.196 4.516 4.320 -0.000 0.000 0.215 617 A C 2.599 180.231 177.584 0.081 0.000 1.181 617 A CA 1.512 53.579 52.037 0.050 0.000 0.620 617 A CB -1.250 17.764 19.000 0.023 0.000 0.821 617 A HN 0.569 nan 8.150 nan 0.000 0.443 618 A N 0.222 123.105 122.820 0.104 0.000 1.896 618 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 618 A C 2.144 179.856 177.584 0.214 0.000 1.206 618 A CA 1.892 54.029 52.037 0.167 0.000 0.647 618 A CB -0.775 18.331 19.000 0.176 0.000 0.828 618 A HN 0.425 nan 8.150 nan 0.000 0.455 619 L N -1.074 120.248 121.223 0.165 0.000 1.989 619 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 619 L C 2.835 179.825 176.870 0.201 0.000 1.071 619 L CA 2.171 57.112 54.840 0.169 0.000 0.749 619 L CB -1.227 40.913 42.059 0.136 0.000 0.890 619 L HN 0.485 nan 8.230 nan 0.000 0.431 620 R N -0.089 120.495 120.500 0.140 0.000 2.115 620 R HA -0.264 4.076 4.340 -0.000 0.000 0.239 620 R C 2.167 178.545 176.300 0.129 0.000 1.133 620 R CA 1.943 58.109 56.100 0.111 0.000 0.935 620 R CB -0.370 29.972 30.300 0.069 0.000 0.853 620 R HN 0.273 nan 8.270 nan 0.000 0.433 621 E N 0.037 120.319 120.200 0.136 0.000 2.085 621 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 621 E C 1.716 178.453 176.600 0.228 0.000 0.994 621 E CA 1.361 57.840 56.400 0.133 0.000 0.801 621 E CB -0.343 29.393 29.700 0.060 0.000 0.743 621 E HN 0.379 nan 8.360 nan 0.000 0.453 622 Y N 1.404 121.819 120.300 0.191 0.000 2.114 622 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 622 Y C 1.959 177.912 175.900 0.088 0.000 1.143 622 Y CA 2.573 60.772 58.100 0.165 0.000 1.135 622 Y CB -0.210 38.315 38.460 0.108 0.000 0.980 622 Y HN 0.055 nan 8.280 nan 0.000 0.499 623 K N -0.037 120.502 120.400 0.232 0.000 2.439 623 K HA -0.069 4.251 4.320 -0.000 0.000 0.197 623 K C 2.132 178.750 176.600 0.029 0.000 1.041 623 K CA 0.770 57.122 56.287 0.108 0.000 0.970 623 K CB -0.194 32.410 32.500 0.172 0.000 0.773 623 K HN 0.103 nan 8.250 nan 0.000 0.479 624 R N 1.831 122.356 120.500 0.042 0.000 2.081 624 R HA -0.005 4.335 4.340 -0.000 0.000 0.235 624 R C 1.272 177.561 176.300 -0.018 0.000 1.131 624 R CA 1.382 57.494 56.100 0.020 0.000 0.960 624 R CB 0.003 30.323 30.300 0.034 0.000 0.856 624 R HN 0.237 nan 8.270 nan 0.000 0.436 625 K N 0.152 120.520 120.400 -0.054 0.000 2.487 625 K HA 0.063 4.383 4.320 -0.000 0.000 0.192 625 K C 0.191 176.699 176.600 -0.153 0.000 1.027 625 K CA 0.463 56.692 56.287 -0.097 0.000 1.054 625 K CB 0.262 32.701 32.500 -0.101 0.000 0.824 625 K HN 0.256 nan 8.250 nan 0.000 0.510 626 M N -0.632 118.877 119.600 -0.153 0.000 2.302 626 M HA 0.237 4.717 4.480 -0.000 0.000 0.207 626 M C -0.099 176.172 176.300 -0.048 0.000 1.016 626 M CA -0.562 54.660 55.300 -0.130 0.000 0.941 626 M CB 0.854 33.316 32.600 -0.230 0.000 2.701 626 M HN -0.162 nan 8.290 nan 0.000 0.377 627 G N 1.310 110.095 108.800 -0.025 0.000 2.667 627 G HA2 0.459 4.419 3.960 -0.000 0.000 0.250 627 G HA3 0.459 4.419 3.960 -0.000 0.000 0.250 627 G C 0.667 175.568 174.900 0.001 0.000 1.212 627 G CA -0.241 44.858 45.100 -0.001 0.000 0.874 627 G HN 0.907 nan 8.290 nan 0.000 0.561 628 M N -1.458 118.149 119.600 0.012 0.000 2.691 628 M HA -0.291 4.189 4.480 -0.000 0.000 0.122 628 M C 1.859 178.170 176.300 0.018 0.000 0.727 628 M CA 2.280 57.588 55.300 0.013 0.000 0.446 628 M CB -0.564 32.041 32.600 0.007 0.000 1.672 628 M HN 0.572 nan 8.290 nan 0.000 0.247 629 R N 2.106 122.612 120.500 0.010 0.000 4.219 629 R HA 0.037 4.377 4.340 -0.000 0.000 0.203 629 R C -0.580 175.742 176.300 0.037 0.000 2.173 629 R CA 0.947 57.056 56.100 0.016 0.000 1.776 629 R CB -0.323 29.977 30.300 -0.001 0.000 1.150 629 R HN 0.551 nan 8.270 nan 0.000 0.637 630 E N -3.292 116.935 120.200 0.044 0.000 5.535 630 E HA 0.018 4.368 4.350 -0.000 0.000 0.522 630 E C -0.927 175.710 176.600 0.062 0.000 1.328 630 E CA 0.060 56.499 56.400 0.066 0.000 2.790 630 E CB -0.540 29.236 29.700 0.127 0.000 0.939 630 E HN 0.252 nan 8.360 nan 0.000 0.283 631 G N 0.264 109.109 108.800 0.074 0.000 5.072 631 G HA2 0.530 4.490 3.960 -0.000 0.000 0.208 631 G HA3 0.530 4.490 3.960 -0.000 0.000 0.208 631 G C 0.539 175.479 174.900 0.067 0.000 0.804 631 G CA 0.854 45.998 45.100 0.074 0.000 0.619 631 G HN 0.928 nan 8.290 nan 0.000 0.427 632 A N 0.426 123.268 122.820 0.036 0.000 1.742 632 A HA -0.213 4.107 4.320 -0.000 0.000 0.355 632 A C 1.764 179.378 177.584 0.051 0.000 5.205 632 A CA 2.971 55.024 52.037 0.026 0.000 1.025 632 A CB -1.222 17.773 19.000 -0.008 0.000 0.587 632 A HN 2.372 nan 8.150 nan 0.000 0.479 633 S N -3.132 112.614 115.700 0.077 0.000 4.387 633 S HA 0.087 4.557 4.470 -0.000 0.000 0.111 633 S C 0.540 175.323 174.600 0.306 0.000 0.996 633 S CA 0.858 59.104 58.200 0.076 0.000 0.858 633 S CB -2.307 60.889 63.200 -0.007 0.000 0.533 633 S HN 1.904 nan 8.310 nan 0.000 0.806 634 I N 0.050 120.849 120.570 0.382 0.000 4.900 634 I HA -0.496 3.674 4.170 -0.000 0.000 0.038 634 I C 1.805 178.016 176.117 0.156 0.000 0.635 634 I CA 1.985 63.425 61.300 0.234 0.000 0.246 634 I CB -1.497 36.608 38.000 0.175 0.000 0.340 634 I HN 0.513 nan 8.210 nan 0.000 0.150 635 D N 0.719 121.166 120.400 0.078 0.000 2.204 635 D HA -0.257 4.383 4.640 -0.000 0.000 0.189 635 D C 2.117 178.394 176.300 -0.039 0.000 1.006 635 D CA 2.334 56.346 54.000 0.019 0.000 0.855 635 D CB -0.615 40.186 40.800 0.002 0.000 0.946 635 D HN 0.594 nan 8.370 nan 0.000 0.448 636 S N -0.840 114.798 115.700 -0.103 0.000 2.374 636 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 636 S C 2.035 176.438 174.600 -0.329 0.000 1.037 636 S CA 1.654 59.698 58.200 -0.260 0.000 1.024 636 S CB -0.601 62.366 63.200 -0.388 0.000 0.861 636 S HN 0.455 nan 8.310 nan 0.000 0.456 637 W N 1.135 122.377 121.300 -0.097 0.000 2.407 637 W HA 0.139 4.799 4.660 -0.000 0.000 0.305 637 W C 2.322 178.754 176.519 -0.144 0.000 1.196 637 W CA 0.444 57.718 57.345 -0.118 0.000 1.311 637 W CB -0.625 28.818 29.460 -0.028 0.000 1.135 637 W HN 0.260 nan 8.180 nan 0.000 0.514 638 L N 0.285 121.589 121.223 0.136 0.000 1.963 638 L HA -0.291 4.049 4.340 -0.000 0.000 0.220 638 L C 1.817 178.676 176.870 -0.019 0.000 1.076 638 L CA 1.598 56.465 54.840 0.044 0.000 0.772 638 L CB -1.054 41.030 42.059 0.043 0.000 0.892 638 L HN -0.005 nan 8.230 nan 0.000 0.435 639 E N -0.181 119.990 120.200 -0.047 0.000 2.482 639 E HA -0.114 4.236 4.350 -0.000 0.000 0.200 639 E C 1.505 178.051 176.600 -0.091 0.000 1.147 639 E CA 0.115 56.469 56.400 -0.077 0.000 0.912 639 E CB -0.029 29.606 29.700 -0.108 0.000 0.938 639 E HN 0.440 nan 8.360 nan 0.000 0.519 640 L N -0.519 120.649 121.223 -0.093 0.000 2.817 640 L HA 0.066 4.406 4.340 -0.000 0.000 0.248 640 L C 1.149 177.970 176.870 -0.081 0.000 1.133 640 L CA 0.015 54.795 54.840 -0.100 0.000 0.935 640 L CB 0.414 42.336 42.059 -0.228 0.000 1.266 640 L HN 0.086 nan 8.230 nan 0.000 0.535 641 L N 0.387 121.555 121.223 -0.091 0.000 2.187 641 L HA 0.114 4.454 4.340 -0.000 0.000 0.197 641 L C 1.612 178.469 176.870 -0.021 0.000 1.090 641 L CA 0.910 55.692 54.840 -0.096 0.000 0.781 641 L CB -1.127 40.856 42.059 -0.125 0.000 0.956 641 L HN 0.322 nan 8.230 nan 0.000 0.463 642 R N -0.292 120.206 120.500 -0.004 0.000 4.219 642 R HA -0.064 4.276 4.340 -0.000 0.000 0.203 642 R C 0.670 177.044 176.300 0.123 0.000 2.173 642 R CA 0.346 56.466 56.100 0.033 0.000 1.776 642 R CB -0.587 29.721 30.300 0.014 0.000 1.150 642 R HN 0.578 nan 8.270 nan 0.000 0.637 643 H N -1.093 117.951 119.070 -0.042 0.000 1.791 643 H HA 0.034 4.590 4.556 -0.000 0.000 0.126 643 H C 0.201 175.515 175.328 -0.023 0.000 1.090 643 H CA 0.034 56.063 56.048 -0.031 0.000 0.723 643 H CB 0.436 30.176 29.762 -0.036 0.000 0.491 643 H HN 0.122 nan 8.280 nan 0.000 0.263 644 L N 0.000 121.252 121.223 0.049 0.000 2.949 644 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 644 L CA 0.000 54.849 54.840 0.015 0.000 0.813 644 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 644 L HN 0.000 nan 8.230 nan 0.000 0.502